CID 150945166

2-bromo-1,1-difluorocyclobutane

Structural Information

Molecular Formula
C4H5BrF2
SMILES
C1CC(C1Br)(F)F
InChI
InChI=1S/C4H5BrF2/c5-3-1-2-4(3,6)7/h3H,1-2H2
InChIKey
LIWXXRDMMIEADB-UHFFFAOYSA-N
Compound name
2-bromo-1,1-difluorocyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.95427 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.96155 117.5
[M+Na]+ 192.94349 129.3
[M-H]- 168.94699 122.2
[M+NH4]+ 187.98809 137.5
[M+K]+ 208.91743 122.3
[M+H-H2O]+ 152.95153 114.4
[M+HCOO]- 214.95247 136.3
[M+CH3COO]- 228.96812 179.9
[M+Na-2H]- 190.92894 126.3
[M]+ 169.95372 140.0
[M]- 169.95482 140.0
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.