CID 2782240

4-bromo-1,1-difluorobut-1-ene

Structural Information

Molecular Formula
C4H5BrF2
SMILES
C(CBr)C=C(F)F
InChI
InChI=1S/C4H5BrF2/c5-3-1-2-4(6)7/h2H,1,3H2
InChIKey
WSIDFIREQDHYPW-UHFFFAOYSA-N
Compound name
4-bromo-1,1-difluorobut-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

142
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 126.8
[M+Na]+ 192.94349 138.5
[M-H]- 168.94699 127.7
[M+NH4]+ 187.98809 150.7
[M+K]+ 208.91743 128.1
[M+H-H2O]+ 152.95153 126.5
[M+HCOO]- 214.95247 146.0
[M+CH3COO]- 228.96812 177.1
[M+Na-2H]- 190.92894 133.5
[M]+ 169.95372 142.0
[M]- 169.95482 142.0
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