CID 550387

125112-68-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.90076 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.90804 150.9
[M+Na]+ 382.88998 169.2
[M-H]- 358.89348 147.2
[M+NH4]+ 377.93458 177.7
[M+K]+ 398.86392 157.2
[M+H-H2O]+ 342.89802 149.6
[M+HCOO]- 404.89896 159.8
[M+CH3COO]- 418.91461 207.7
[M+Na-2H]- 380.87543 155.9
[M]+ 359.90021 155.6
[M]- 359.90131 155.6
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

No patent data available for this compound.