CID 157167

78213-03-3

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]+ 152.034226 122.8
[M+Na]+ 174.016168 134.8
[M-H]- 150.019674 125.5
[M+NH4]+ 169.060773 143.4
[M+K]+ 189.990108 132.5
[M+H-H2O]+ 134.024210 117.9
[M+HCOO]- 196.025151 145.8
[M+CH3COO]- 210.040801 138.0
[M+Na-2H]- 172.001616 132.3
[M]+ 151.02640142 124.9
[M]- 151.02749858 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

literature stripe

Patent stripe

patents stripe