CID 165668472

3-(bromomethyl)-1-fluoro-1-methylcyclobutane

Structural Information

Molecular Formula
C6H10BrF
SMILES
CC1(CC(C1)CBr)F
InChI
InChI=1S/C6H10BrF/c1-6(8)2-5(3-6)4-7/h5H,2-4H2,1H3
InChIKey
SEBZTJBPCDRNNG-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-1-fluoro-1-methylcyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.995 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.00228 122.6
[M+Na]+ 202.98422 133.7
[M-H]- 178.98772 128.2
[M+NH4]+ 198.02882 142.4
[M+K]+ 218.95816 126.6
[M+H-H2O]+ 162.99226 120.1
[M+HCOO]- 224.99320 141.8
[M+CH3COO]- 239.00885 182.9
[M+Na-2H]- 200.96967 131.1
[M]+ 179.99445 146.9
[M]- 179.99555 146.9
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.