CID 2782562

Perfluorocyclohexanecarbonyl bromide

Structural Information

Molecular Formula
C7BrF11O
SMILES
C(=O)(C1(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)F)Br
InChI
InChI=1S/C7BrF11O/c8-1(20)2(9)3(10,11)5(14,15)7(18,19)6(16,17)4(2,12)13
InChIKey
IMCJGMVADKNDTL-UHFFFAOYSA-N
Compound name
1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carbonyl bromide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

387.8957 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.90298 150.6
[M+Na]+ 410.88492 168.6
[M-H]- 386.88842 146.9
[M+NH4]+ 405.92952 176.2
[M+K]+ 426.85886 157.5
[M+H-H2O]+ 370.89296 149.3
[M+HCOO]- 432.89390 158.1
[M+CH3COO]- 446.90955 213.6
[M+Na-2H]- 408.87037 155.1
[M]+ 387.89515 155.8
[M]- 387.89625 155.8
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