CID 5288001

4-(carboxyvin-2-yl)phenylboronic acid

Structural Information

Molecular Formula
C9H9BO4
SMILES
B(C1=CC=C(C=C1)/C=C/C(=O)O)(O)O
InChI
InChI=1S/C9H9BO4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-6,13-14H,(H,11,12)/b6-3+
InChIKey
IEMLKNHGGSYOMP-ZZXKWVIFSA-N
Compound name
(E)-3-(4-boronophenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

152
Patents

192.05939 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.066666 138.5
[M+Na]+ 215.048608 145.2
[M-H]- 191.052114 138.2
[M+NH4]+ 210.093213 155.8
[M+K]+ 231.022548 142.3
[M+H-H2O]+ 175.056650 133.3
[M+HCOO]- 237.057591 157.6
[M+CH3COO]- 251.073241 174.8
[M+Na-2H]- 213.034056 141.7
[M]+ 192.05884142 136.5
[M]- 192.05993858 136.5
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