CID 5489358

86004-57-1

Structural Information

Molecular Formula
C7H5NO3
SMILES
C1=CC2=C(C=C1O)ONC2=O
InChI
InChI=1S/C7H5NO3/c9-4-1-2-5-6(3-4)11-8-7(5)10/h1-3,9H,(H,8,10)
InChIKey
BSVWKKOEZYADMB-UHFFFAOYSA-N
Compound name
6-hydroxy-1,2-benzoxazol-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

78
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 124.3
[M+Na]+ 174.01617 138.0
[M+NH4]+ 169.06077 132.3
[M+K]+ 189.99011 135.0
[M-H]- 150.01967 125.9
[M+Na-2H]- 172.00162 129.9
[M]+ 151.02640 126.6
[M]- 151.02750 126.6
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