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

17
Patents

197.98557 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.992846 136.1
[M+Na]+ 220.974788 148.0
[M-H]- 196.978294 140.0
[M+NH4]+ 216.019393 162.5
[M+K]+ 236.948728 137.6
[M+H-H2O]+ 180.982830 136.4
[M+HCOO]- 242.983771 155.0
[M+CH3COO]- 256.999421 180.3
[M+Na-2H]- 218.960236 141.7
[M]+ 197.98502142 149.8
[M]- 197.98611858 149.8
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