CID 21835204

2-(2-chlorophenyl)propanal

Structural Information

Molecular Formula
C9H9ClO
SMILES
CC(C=O)C1=CC=CC=C1Cl
InChI
InChI=1S/C9H9ClO/c1-7(6-11)8-4-2-3-5-9(8)10/h2-7H,1H3
InChIKey
VROMJSDIQMATBP-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

168.0342 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04148 131.0
[M+Na]+ 191.02342 140.3
[M-H]- 167.02692 134.9
[M+NH4]+ 186.06802 152.7
[M+K]+ 206.99736 136.8
[M+H-H2O]+ 151.03146 126.7
[M+HCOO]- 213.03240 150.5
[M+CH3COO]- 227.04805 178.3
[M+Na-2H]- 189.00887 137.0
[M]+ 168.03365 133.5
[M]- 168.03475 133.5
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