CID 6043

2-benzoxazolinone

Structural Information

Molecular Formula
C7H5NO2
SMILES
C1=CC=C2C(=C1)NC(=O)O2
InChI
InChI=1S/C7H5NO2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
InChIKey
ASSKVPFEZFQQNQ-UHFFFAOYSA-N
Compound name
3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

195
References

21462
Patents

135.03203 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.03931 119.2
[M+Na]+ 158.02125 130.8
[M-H]- 134.02475 122.8
[M+NH4]+ 153.06585 140.9
[M+K]+ 173.99519 129.0
[M+H-H2O]+ 118.02929 114.0
[M+HCOO]- 180.03023 143.5
[M+CH3COO]- 194.04588 134.9
[M+Na-2H]- 156.00670 129.8
[M]+ 135.03148 121.3
[M]- 135.03258 121.3
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