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

5
Patents

169.95427 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.961546 117.5
[M+Na]+ 192.943488 129.3
[M-H]- 168.946994 122.2
[M+NH4]+ 187.988093 137.5
[M+K]+ 208.917428 122.3
[M+H-H2O]+ 152.951530 114.4
[M+HCOO]- 214.952471 136.3
[M+CH3COO]- 228.968121 179.9
[M+Na-2H]- 190.928936 126.3
[M]+ 169.95372142 140.0
[M]- 169.95481858 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

patents stripe