CID 6436411

4-bromocrotonic acid

Structural Information

Molecular Formula
C4H5BrO2
SMILES
C(/C=C/C(=O)O)Br
InChI
InChI=1S/C4H5BrO2/c5-3-1-2-4(6)7/h1-2H,3H2,(H,6,7)/b2-1+
InChIKey
DOTGZROJTAUYFQ-OWOJBTEDSA-N
Compound name
(E)-4-bromobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

1884
Patents

163.9473 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.95458 124.4
[M+Na]+ 186.93652 135.8
[M-H]- 162.94002 126.5
[M+NH4]+ 181.98112 147.8
[M+K]+ 202.91046 125.4
[M+H-H2O]+ 146.94456 125.6
[M+HCOO]- 208.94550 144.7
[M+CH3COO]- 222.96115 172.0
[M+Na-2H]- 184.92197 131.9
[M]+ 163.94675 142.1
[M]- 163.94785 142.1
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.