CID 2760331

1-bromoperfluoro-2,5,8-trioxanonane

Structural Information

Molecular Formula
C6BrF13O3
SMILES
C(C(OC(F)(F)F)(F)F)(OC(C(OC(F)(F)Br)(F)F)(F)F)(F)F
InChI
InChI=1S/C6BrF13O3/c7-5(16,17)22-3(12,13)1(8,9)21-2(10,11)4(14,15)23-6(18,19)20
InChIKey
JPQGQPTZDXLRAY-UHFFFAOYSA-N
Compound name
1-[2-[bromo(difluoro)methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

6
Patents

445.88232 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.88960 192.1
[M+Na]+ 468.87154 204.5
[M-H]- 444.87504 181.5
[M+NH4]+ 463.91614 179.4
[M+K]+ 484.84548 193.7
[M+H-H2O]+ 428.87958 183.6
[M+HCOO]- 490.88052 192.6
[M+CH3COO]- 504.89617 220.9
[M+Na-2H]- 466.85699 196.0
[M]+ 445.88177 192.5
[M]- 445.88287 192.5
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

patents stripe