CID 10920888

1-(4-chlorophenyl)prop-2-en-1-one

Structural Information

Molecular Formula
C9H7ClO
SMILES
C=CC(=O)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C9H7ClO/c1-2-9(11)7-3-5-8(10)6-4-7/h2-6H,1H2
InChIKey
FMQNAMWEBWQKQN-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

143
Patents

166.01854 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.02582 130.9
[M+Na]+ 189.00776 145.4
[M+NH4]+ 184.05236 140.3
[M+K]+ 204.98170 137.9
[M-H]- 165.01126 133.3
[M+Na-2H]- 186.99321 138.7
[M]+ 166.01799 134.0
[M]- 166.01909 134.0
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