CID 125511588

1-(bromomethyl)-1-(difluoromethyl)cyclobutane

Structural Information

Molecular Formula
C6H9BrF2
SMILES
C1CC(C1)(CBr)C(F)F
InChI
InChI=1S/C6H9BrF2/c7-4-6(5(8)9)2-1-3-6/h5H,1-4H2
InChIKey
KPSVVNHTVFNYMB-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-1-(difluoromethyl)cyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.98557 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.992846 129.7
[M+Na]+ 220.974788 139.6
[M-H]- 196.978294 133.6
[M+NH4]+ 216.019393 148.2
[M+K]+ 236.948728 132.5
[M+H-H2O]+ 180.982830 125.8
[M+HCOO]- 242.983771 146.8
[M+CH3COO]- 256.999421 185.1
[M+Na-2H]- 218.960236 136.5
[M]+ 197.98502142 151.8
[M]- 197.98611858 151.8
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.