CID 555874

371215-02-0

Structural Information

Molecular Formula
C14H8ClNO4
SMILES
C1=CC=C(C=C1)OC(=O)N2C3=C(C=CC(=C3)Cl)OC2=O
InChI
InChI=1S/C14H8ClNO4/c15-9-6-7-12-11(8-9)16(14(18)20-12)13(17)19-10-4-2-1-3-5-10/h1-8H
InChIKey
FYDGHUOMMFLMLH-UHFFFAOYSA-N
Compound name
phenyl 5-chloro-2-oxo-1,3-benzoxazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

16
Patents

289.0142 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.021476 158.6
[M+Na]+ 312.003418 171.3
[M-H]- 288.006924 167.1
[M+NH4]+ 307.048023 175.6
[M+K]+ 327.977358 167.7
[M+H-H2O]+ 272.011460 151.8
[M+HCOO]- 334.012401 178.3
[M+CH3COO]- 348.028051 172.8
[M+Na-2H]- 309.988866 164.9
[M]+ 289.01365142 166.8
[M]- 289.01474858 166.8
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