CID 293461

4-chlorophenyl acrylate

Structural Information

Molecular Formula
C9H7ClO2
SMILES
C=CC(=O)OC1=CC=C(C=C1)Cl
InChI
InChI=1S/C9H7ClO2/c1-2-9(11)12-8-5-3-7(10)4-6-8/h2-6H,1H2
InChIKey
IGHDIBHFCIOXGK-UHFFFAOYSA-N
Compound name
(4-chlorophenyl) prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1475
Patents

182.01346 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.020736 133.0
[M+Na]+ 205.002678 142.6
[M-H]- 181.006184 137.0
[M+NH4]+ 200.047283 154.0
[M+K]+ 220.976618 139.0
[M+H-H2O]+ 165.010720 128.6
[M+HCOO]- 227.011661 153.0
[M+CH3COO]- 241.027311 178.7
[M+Na-2H]- 202.988126 139.0
[M]+ 182.01291142 136.2
[M]- 182.01400858 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