CID 2760330

1-(2-(2-(bromodifluoromethoxy)-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethoxy)-1,1,2,2,3,3,4,4,4-nonafluorobutane

Structural Information

Molecular Formula
C9BrF19O3
SMILES
C(C(C(F)(F)F)(F)F)(C(OC(C(OC(C(OC(F)(F)Br)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9BrF19O3/c10-9(28,29)32-8(26,27)7(24,25)31-6(22,23)5(20,21)30-4(18,19)2(13,14)1(11,12)3(15,16)17
InChIKey
IKLGPUSJUIHNMO-UHFFFAOYSA-N
Compound name
1-[2-[2-[bromo(difluoro)methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3,4,4,4-nonafluorobutane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
Patents

595.87274 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 596.88002 190.2
[M+Na]+ 618.86196 194.7
[M-H]- 594.86546 197.8
[M+NH4]+ 613.90656 200.5
[M+K]+ 634.83590 203.2
[M+H-H2O]+ 578.87000 180.1
[M+HCOO]- 640.87094 209.4
[M+CH3COO]- 654.88659 243.8
[M+Na-2H]- 616.84741 189.3
[M]+ 595.87219 188.6
[M]- 595.87329 188.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe