CID 18517305

Benzo[d]isoxazol-5-ol

Structural Information

Molecular Formula
C7H5NO2
SMILES
C1=CC2=C(C=C1O)C=NO2
InChI
InChI=1S/C7H5NO2/c9-6-1-2-7-5(3-6)4-8-10-7/h1-4,9H
InChIKey
SZLDGOXCELBEBV-UHFFFAOYSA-N
Compound name
1,2-benzoxazol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

135.03203 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.03931 120.8
[M+Na]+ 158.02125 135.2
[M+NH4]+ 153.06585 130.1
[M+K]+ 173.99519 131.3
[M-H]- 134.02475 123.7
[M+Na-2H]- 156.00670 128.0
[M]+ 135.03148 123.7
[M]- 135.03258 123.7
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