CID 359387

88599-38-6

Structural Information

Molecular Formula
C10H10ClNO4
SMILES
CCOC(=O)C1=C(C=CC(=C1)Cl)OC(=O)N
InChI
InChI=1S/C10H10ClNO4/c1-2-15-9(13)7-5-6(11)3-4-8(7)16-10(12)14/h3-5H,2H2,1H3,(H2,12,14)
InChIKey
HZMSXSATHGSRPG-UHFFFAOYSA-N
Compound name
ethyl 2-carbamoyloxy-5-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.02983 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.03711 148.3
[M+Na]+ 266.01905 157.0
[M-H]- 242.02255 152.0
[M+NH4]+ 261.06365 166.3
[M+K]+ 281.99299 154.5
[M+H-H2O]+ 226.02709 143.2
[M+HCOO]- 288.02803 167.8
[M+CH3COO]- 302.04368 191.6
[M+Na-2H]- 264.00450 151.0
[M]+ 243.02928 152.6
[M]- 243.03038 152.6
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

No patent data available for this compound.