CID 638125

(e)-3-bromoacrylic acid

Structural Information

Molecular Formula
C3H3BrO2
SMILES
C(=C/Br)\C(=O)O
InChI
InChI=1S/C3H3BrO2/c4-2-1-3(5)6/h1-2H,(H,5,6)/b2-1+
InChIKey
POAWTYXNXPEWCO-OWOJBTEDSA-N
Compound name
(E)-3-bromoprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

407
Patents

149.93164 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.93892 119.7
[M+Na]+ 172.92086 131.5
[M-H]- 148.92436 122.0
[M+NH4]+ 167.96546 143.7
[M+K]+ 188.89480 121.4
[M+H-H2O]+ 132.92890 121.2
[M+HCOO]- 194.92984 140.4
[M+CH3COO]- 208.94549 169.2
[M+Na-2H]- 170.90631 127.8
[M]+ 149.93109 137.1
[M]- 149.93219 137.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe