CID 68084493

19203-45-3

Structural Information

Molecular Formula
C9H9BO4
SMILES
B1(C2=CC=CC=C2C(O1)CC(=O)O)O
InChI
InChI=1S/C9H9BO4/c11-9(12)5-8-6-3-1-2-4-7(6)10(13)14-8/h1-4,8,13H,5H2,(H,11,12)
InChIKey
ZJBJWSMUEYQHQD-UHFFFAOYSA-N
Compound name
2-(1-hydroxy-3H-2,1-benzoxaborol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

192.05939 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.066666 136.2
[M+Na]+ 215.048608 144.4
[M-H]- 191.052114 139.1
[M+NH4]+ 210.093213 156.1
[M+K]+ 231.022548 143.1
[M+H-H2O]+ 175.056650 131.7
[M+HCOO]- 237.057591 155.8
[M+CH3COO]- 251.073241 176.9
[M+Na-2H]- 213.034056 141.4
[M]+ 192.05884142 136.7
[M]- 192.05993858 136.7
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

patents stripe