CID 138039658

1-bromo-3-(difluoromethyl)cyclobutane

Structural Information

Molecular Formula
C5H7BrF2
SMILES
C1C(CC1Br)C(F)F
InChI
InChI=1S/C5H7BrF2/c6-4-1-3(2-4)5(7)8/h3-5H,1-2H2
InChIKey
BPARGESYLQQWDW-UHFFFAOYSA-N
Compound name
1-bromo-3-(difluoromethyl)cyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

183.96992 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.977196 124.6
[M+Na]+ 206.959138 134.9
[M-H]- 182.962644 128.6
[M+NH4]+ 202.003743 142.1
[M+K]+ 222.933078 128.0
[M+H-H2O]+ 166.967180 119.8
[M+HCOO]- 228.968121 142.0
[M+CH3COO]- 242.983771 183.8
[M+Na-2H]- 204.944586 130.4
[M]+ 183.96937142 146.3
[M]- 183.97046858 146.3
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

patents stripe