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]+ 198.99285 125.9
[M+Na]+ 220.97479 137.8
[M-H]- 196.97829 130.7
[M+NH4]+ 216.01939 146.8
[M+K]+ 236.94873 130.3
[M+H-H2O]+ 180.98283 123.9
[M+HCOO]- 242.98377 144.2
[M+CH3COO]- 256.99942 185.2
[M+Na-2H]- 218.96024 134.7
[M]+ 197.98502 149.5
[M]- 197.98612 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.