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 143.5
[M+Na]+ 252.00341 152.7
[M-H]- 228.00691 147.4
[M+NH4]+ 247.04801 162.2
[M+K]+ 267.97735 150.5
[M+H-H2O]+ 212.01145 138.6
[M+HCOO]- 274.01239 163.4
[M+CH3COO]- 288.02804 188.6
[M+Na-2H]- 249.98886 146.8
[M]+ 229.01364 147.5
[M]- 229.01474 147.5
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

patents stripe