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 136.1
[M+Na]+ 220.97479 148.0
[M-H]- 196.97829 140.0
[M+NH4]+ 216.01939 162.5
[M+K]+ 236.94873 137.6
[M+H-H2O]+ 180.98283 136.4
[M+HCOO]- 242.98377 155.0
[M+CH3COO]- 256.99942 180.3
[M+Na-2H]- 218.96024 141.7
[M]+ 197.98502 149.8
[M]- 197.98612 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