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

16
Patents

183.96992 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.97720 124.6
[M+Na]+ 206.95914 134.9
[M-H]- 182.96264 128.6
[M+NH4]+ 202.00374 142.1
[M+K]+ 222.93308 128.0
[M+H-H2O]+ 166.96718 119.8
[M+HCOO]- 228.96812 142.0
[M+CH3COO]- 242.98377 183.8
[M+Na-2H]- 204.94459 130.4
[M]+ 183.96937 146.3
[M]- 183.97047 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