CID 18335724

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

Structural Information

Molecular Formula
C9H7ClO
SMILES
C=CC(=O)C1=CC=CC=C1Cl
InChI
InChI=1S/C9H7ClO/c1-2-9(11)7-5-3-4-6-8(7)10/h2-6H,1H2
InChIKey
GAQRZTCWAYLSKR-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

166.01854 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.025816 129.7
[M+Na]+ 189.007758 139.2
[M-H]- 165.011264 133.6
[M+NH4]+ 184.052363 151.3
[M+K]+ 204.981698 135.1
[M+H-H2O]+ 149.015800 125.5
[M+HCOO]- 211.016741 149.4
[M+CH3COO]- 225.032391 177.4
[M+Na-2H]- 186.993206 135.7
[M]+ 166.01799142 131.4
[M]- 166.01908858 131.4
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