CID 2736357

1-bromoundecafluorocyclohexane

Structural Information

Molecular Formula
C6BrF11
SMILES
C1(C(C(C(C(C1(F)F)(F)F)(F)Br)(F)F)(F)F)(F)F
InChI
InChI=1S/C6BrF11/c7-1(8)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12
InChIKey
ZAGWQKRFOLDLGQ-UHFFFAOYSA-N
Compound name
1-bromo-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

359.90076 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.90804 145.3
[M+Na]+ 382.88998 163.8
[M-H]- 358.89348 141.9
[M+NH4]+ 377.93458 172.1
[M+K]+ 398.86392 152.5
[M+H-H2O]+ 342.89802 143.8
[M+HCOO]- 404.89896 153.7
[M+CH3COO]- 418.91461 209.5
[M+Na-2H]- 380.87543 151.0
[M]+ 359.90021 150.0
[M]- 359.90131 150.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe