CID 3021295

88599-37-5

Structural Information

Molecular Formula
C9H8ClNO4
SMILES
COC(=O)C1=C(C=CC(=C1)Cl)OC(=O)N
InChI
InChI=1S/C9H8ClNO4/c1-14-8(12)6-4-5(10)2-3-7(6)15-9(11)13/h2-4H,1H3,(H2,11,13)
InChIKey
OOOVIVZJBGEEBJ-UHFFFAOYSA-N
Compound name
methyl 2-carbamoyloxy-5-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.01419 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.02147 144.1
[M+Na]+ 252.00341 155.6
[M+NH4]+ 247.04801 150.8
[M+K]+ 267.97735 151.3
[M-H]- 228.00691 144.7
[M+Na-2H]- 249.98886 149.0
[M]+ 229.01364 145.9
[M]- 229.01474 145.9
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.