CID 15111018

4-chloro-2-ethenylbenzamide

Structural Information

Molecular Formula
C9H8ClNO
SMILES
C=CC1=C(C=CC(=C1)Cl)C(=O)N
InChI
InChI=1S/C9H8ClNO/c1-2-6-5-7(10)3-4-8(6)9(11)12/h2-5H,1H2,(H2,11,12)
InChIKey
CDALGLDUDJSSLC-UHFFFAOYSA-N
Compound name
4-chloro-2-ethenylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.02943 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.036706 135.3
[M+Na]+ 204.018648 144.9
[M-H]- 180.022154 138.9
[M+NH4]+ 199.063253 155.9
[M+K]+ 219.992588 140.3
[M+H-H2O]+ 164.026690 130.9
[M+HCOO]- 226.027631 155.3
[M+CH3COO]- 240.043281 182.7
[M+Na-2H]- 202.004096 139.6
[M]+ 181.02888142 135.6
[M]- 181.02997858 135.6
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

No patent data available for this compound.