CID 212810

24963-24-4

Structural Information

Molecular Formula
C10H8ClNO4
SMILES
CCOC(=O)N1C2=C(C=CC(=C2)Cl)OC1=O
InChI
InChI=1S/C10H8ClNO4/c1-2-15-9(13)12-7-5-6(11)3-4-8(7)16-10(12)14/h3-5H,2H2,1H3
InChIKey
PXGIZDAJJVNROD-UHFFFAOYSA-N
Compound name
ethyl 5-chloro-2-oxo-1,3-benzoxazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

241.01419 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.021466 144.8
[M+Na]+ 264.003408 158.0
[M-H]- 240.006914 150.1
[M+NH4]+ 259.048013 164.3
[M+K]+ 279.977348 155.5
[M+H-H2O]+ 224.011450 139.7
[M+HCOO]- 286.012391 164.5
[M+CH3COO]- 300.028041 187.6
[M+Na-2H]- 261.988856 151.2
[M]+ 241.01364142 154.0
[M]- 241.01473858 154.0
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

No patent data available for this compound.