CID 162345145

Ns00133617

Structural Information

Molecular Formula
C3H2BrClO2
SMILES
C(=C(\Cl)/Br)\C(=O)O
InChI
InChI=1S/C3H2BrClO2/c4-2(5)1-3(6)7/h1H,(H,6,7)/b2-1-
InChIKey
FZUHXWTWXISPQG-UPHRSURJSA-N
Compound name
(E)-3-bromo-3-chloroprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.89267 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.899946 124.2
[M+Na]+ 206.881888 136.8
[M-H]- 182.885394 126.5
[M+NH4]+ 201.926493 147.6
[M+K]+ 222.855828 124.8
[M+H-H2O]+ 166.889930 126.6
[M+HCOO]- 228.890871 139.6
[M+CH3COO]- 242.906521 173.7
[M+Na-2H]- 204.867336 130.8
[M]+ 183.89212142 142.6
[M]- 183.89321858 142.6
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.