CID 41229

54903-19-4

Structural Information

Molecular Formula
C14H11NO3
SMILES
C1=CC=C(C=C1)C(C2=CC3=C(C=C2)NC(=O)O3)O
InChI
InChI=1S/C14H11NO3/c16-13(9-4-2-1-3-5-9)10-6-7-11-12(8-10)18-14(17)15-11/h1-8,13,16H,(H,15,17)
InChIKey
WTNOZALZHBSNNB-UHFFFAOYSA-N
Compound name
6-[hydroxy(phenyl)methyl]-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

241.0739 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.08118 150.5
[M+Na]+ 264.06312 165.5
[M+NH4]+ 259.10772 158.5
[M+K]+ 280.03706 161.2
[M-H]- 240.06662 154.8
[M+Na-2H]- 262.04857 158.2
[M]+ 241.07335 153.9
[M]- 241.07445 153.9
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