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]+ 170.961546 126.8
[M+Na]+ 192.943488 138.5
[M-H]- 168.946994 127.7
[M+NH4]+ 187.988093 150.7
[M+K]+ 208.917428 128.1
[M+H-H2O]+ 152.951530 126.5
[M+HCOO]- 214.952471 146.0
[M+CH3COO]- 228.968121 177.1
[M+Na-2H]- 190.928936 133.5
[M]+ 169.95372142 142.0
[M]- 169.95481858 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