CID 212810

Brn 1124032

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]+ 242.02147 144.8
[M+Na]+ 264.00341 158.0
[M-H]- 240.00691 150.1
[M+NH4]+ 259.04801 164.3
[M+K]+ 279.97735 155.5
[M+H-H2O]+ 224.01145 139.7
[M+HCOO]- 286.01239 164.5
[M+CH3COO]- 300.02804 187.6
[M+Na-2H]- 261.98886 151.2
[M]+ 241.01364 154.0
[M]- 241.01474 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.