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 149.7
[M+Na]+ 264.06312 159.6
[M-H]- 240.06662 155.1
[M+NH4]+ 259.10772 166.0
[M+K]+ 280.03706 155.7
[M+H-H2O]+ 224.07116 142.9
[M+HCOO]- 286.07210 170.7
[M+CH3COO]- 300.08775 162.7
[M+Na-2H]- 262.04857 156.4
[M]+ 241.07335 151.1
[M]- 241.07445 151.1
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