CID 94104

58555-40-1

Structural Information

Molecular Formula
C15H9NO5
SMILES
C1=CC=C(C(=C1)C(=O)C2=CC3=C(C=C2)OC(=O)N3)C(=O)O
InChI
InChI=1S/C15H9NO5/c17-13(9-3-1-2-4-10(9)14(18)19)8-5-6-12-11(7-8)16-15(20)21-12/h1-7H,(H,16,20)(H,18,19)
InChIKey
USJCJMADQDMCDE-UHFFFAOYSA-N
Compound name
2-(2-oxo-3H-1,3-benzoxazole-5-carbonyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

2
Patents

283.04807 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.05535 158.4
[M+Na]+ 306.03729 168.4
[M-H]- 282.04079 164.2
[M+NH4]+ 301.08189 172.7
[M+K]+ 322.01123 165.2
[M+H-H2O]+ 266.04533 151.4
[M+HCOO]- 328.04627 178.7
[M+CH3COO]- 342.06192 194.0
[M+Na-2H]- 304.02274 162.8
[M]+ 283.04752 161.3
[M]- 283.04862 161.3
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