CID 11895

Methyl 2-chlorobenzoate

Structural Information

Molecular Formula
C8H7ClO2
SMILES
COC(=O)C1=CC=CC=C1Cl
InChI
InChI=1S/C8H7ClO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,1H3
InChIKey
JAVRNIFMYIJXIE-UHFFFAOYSA-N
Compound name
methyl 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1022
Patents

170.01346 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.02074 130.1
[M+Na]+ 193.00268 144.3
[M+NH4]+ 188.04728 139.3
[M+K]+ 208.97662 137.6
[M-H]- 169.00618 132.2
[M+Na-2H]- 190.98813 137.8
[M]+ 170.01291 133.0
[M]- 170.01401 133.0
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

patents stripe