CID 132398909

1-(bromomethyl)-2-(trifluoromethyl)cyclopentane

Structural Information

Molecular Formula
C7H10BrF3
SMILES
C1CC(C(C1)C(F)(F)F)CBr
InChI
InChI=1S/C7H10BrF3/c8-4-5-2-1-3-6(5)7(9,10)11/h5-6H,1-4H2
InChIKey
KHYZJGBZPDHLSN-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-2-(trifluoromethyl)cyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.9918 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.99908 148.0
[M+Na]+ 252.98102 159.2
[M-H]- 228.98452 150.3
[M+NH4]+ 248.02562 171.3
[M+K]+ 268.95496 148.3
[M+H-H2O]+ 212.98906 146.8
[M+HCOO]- 274.99000 164.0
[M+CH3COO]- 289.00565 185.8
[M+Na-2H]- 250.96647 151.6
[M]+ 229.99125 159.8
[M]- 229.99235 159.8
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

No patent data available for this compound.