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]+ 198.99285 129.7
[M+Na]+ 220.97479 139.6
[M-H]- 196.97829 133.6
[M+NH4]+ 216.01939 148.2
[M+K]+ 236.94873 132.5
[M+H-H2O]+ 180.98283 125.8
[M+HCOO]- 242.98377 146.8
[M+CH3COO]- 256.99942 185.1
[M+Na-2H]- 218.96024 136.5
[M]+ 197.98502 151.8
[M]- 197.98612 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.