CID 587335

Vinyl 2-chlorobenzoate (stabilized with hq)

Structural Information

Molecular Formula
C9H7ClO2
SMILES
C=COC(=O)C1=CC=CC=C1Cl
InChI
InChI=1S/C9H7ClO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h2-6H,1H2
InChIKey
ZJIHUSWGELHYBJ-UHFFFAOYSA-N
Compound name
ethenyl 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1663
Patents

182.01346 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.02074 133.0
[M+Na]+ 205.00268 142.6
[M-H]- 181.00618 137.0
[M+NH4]+ 200.04728 154.0
[M+K]+ 220.97662 139.0
[M+H-H2O]+ 165.01072 128.6
[M+HCOO]- 227.01166 153.0
[M+CH3COO]- 241.02731 178.7
[M+Na-2H]- 202.98813 139.0
[M]+ 182.01291 136.2
[M]- 182.01401 136.2
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