CID 157167

6-hydroxy-2-benzoxazolinone

Structural Information

Molecular Formula
C7H5NO3
SMILES
C1=CC2=C(C=C1O)OC(=O)N2
InChI
InChI=1S/C7H5NO3/c9-4-1-2-5-6(3-4)11-7(10)8-5/h1-3,9H,(H,8,10)
InChIKey
XIYXDPMPFOQCFW-UHFFFAOYSA-N
Compound name
6-hydroxy-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

91
Patents

151.02695 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.03423 122.8
[M+Na]+ 174.01617 134.8
[M-H]- 150.01967 125.5
[M+NH4]+ 169.06077 143.4
[M+K]+ 189.99011 132.5
[M+H-H2O]+ 134.02421 117.9
[M+HCOO]- 196.02515 145.8
[M+CH3COO]- 210.04080 138.0
[M+Na-2H]- 172.00162 132.3
[M]+ 151.02640 124.9
[M]- 151.02750 124.9
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

No patent data available for this compound.