CID 2769361

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

Structural Information

Molecular Formula
C7BrF15O2
SMILES
C(C(C(F)(F)F)(F)F)(C(OC(C(OC(F)(F)Br)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7BrF15O2/c8-7(22,23)25-6(20,21)5(18,19)24-4(16,17)2(11,12)1(9,10)3(13,14)15
InChIKey
AWVFMOQHHHUYSE-UHFFFAOYSA-N
Compound name
1-[2-[bromo(difluoro)methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3,4,4,4-nonafluorobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.88422 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.89150 203.2
[M+Na]+ 502.87344 215.6
[M-H]- 478.87694 181.8
[M+NH4]+ 497.91804 185.2
[M+K]+ 518.84738 204.2
[M+H-H2O]+ 462.88148 193.6
[M+HCOO]- 524.88242 197.5
[M+CH3COO]- 538.89807 227.5
[M+Na-2H]- 500.85889 205.9
[M]+ 479.88367 198.5
[M]- 479.88477 198.5
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

No patent data available for this compound.