CID 126970876

3-(bromomethyl)-1,1-difluorocyclopentane

Structural Information

Molecular Formula
C6H9BrF2
SMILES
C1CC(CC1CBr)(F)F
InChI
InChI=1S/C6H9BrF2/c7-4-5-1-2-6(8,9)3-5/h5H,1-4H2
InChIKey
NFEHQXLBRRUJQB-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-1,1-difluorocyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

197.98557 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.99285 146.7
[M+Na]+ 220.97479 146.9
[M+NH4]+ 216.01939 152.3
[M+K]+ 236.94873 146.0
[M-H]- 196.97829 144.5
[M+Na-2H]- 218.96024 148.0
[M]+ 197.98502 144.9
[M]- 197.98612 144.9
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