CID 146080990

1-(bromomethyl)-3,3-difluoro-1-methylcyclobutane

Structural Information

Molecular Formula
C6H9BrF2
SMILES
CC1(CC(C1)(F)F)CBr
InChI
InChI=1S/C6H9BrF2/c1-5(4-7)2-6(8,9)3-5/h2-4H2,1H3
InChIKey
XDDBGFAOHXMLFG-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-3,3-difluoro-1-methylcyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 125.9
[M+Na]+ 220.974788 137.8
[M-H]- 196.978294 130.7
[M+NH4]+ 216.019393 146.8
[M+K]+ 236.948728 130.3
[M+H-H2O]+ 180.982830 123.9
[M+HCOO]- 242.983771 144.2
[M+CH3COO]- 256.999421 185.2
[M+Na-2H]- 218.960236 134.7
[M]+ 197.98502142 149.5
[M]- 197.98611858 149.5
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.