CID 221281

2-chloropropiophenone

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

215
Patents

168.0342 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04148 132.3
[M+Na]+ 191.02342 146.1
[M+NH4]+ 186.06802 141.8
[M+K]+ 206.99736 139.2
[M-H]- 167.02692 134.7
[M+Na-2H]- 189.00887 140.1
[M]+ 168.03365 135.3
[M]- 168.03475 135.3
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