CID 6158001

374105-86-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

192.05939 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.06667 138.5
[M+Na]+ 215.04861 145.2
[M-H]- 191.05211 138.2
[M+NH4]+ 210.09321 155.8
[M+K]+ 231.02255 142.3
[M+H-H2O]+ 175.05665 133.3
[M+HCOO]- 237.05759 157.6
[M+CH3COO]- 251.07324 174.8
[M+Na-2H]- 213.03406 141.7
[M]+ 192.05884 136.5
[M]- 192.05994 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