CID 11159939

Methyl 2-(chlorocarbonyl)benzoate

Structural Information

Molecular Formula
C9H7ClO3
SMILES
COC(=O)C1=CC=CC=C1C(=O)Cl
InChI
InChI=1S/C9H7ClO3/c1-13-9(12)7-5-3-2-4-6(7)8(10)11/h2-5H,1H3
InChIKey
GNBWUEAMCSHHMO-UHFFFAOYSA-N
Compound name
methyl 2-carbonochloridoylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

419
Patents

198.00838 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.01566 136.7
[M+Na]+ 220.99760 150.0
[M+NH4]+ 216.04220 144.8
[M+K]+ 236.97154 144.3
[M-H]- 197.00110 137.8
[M+Na-2H]- 218.98305 143.2
[M]+ 198.00783 139.1
[M]- 198.00893 139.1
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

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