CID 10757

2-chloroacetophenone

Structural Information

Molecular Formula
C8H7ClO
SMILES
C1=CC=C(C=C1)C(=O)CCl
InChI
InChI=1S/C8H7ClO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
IMACFCSSMIZSPP-UHFFFAOYSA-N
Compound name
2-chloro-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

213
References

12930
Patents

154.01854 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.02582 127.6
[M+Na]+ 177.00776 141.9
[M+NH4]+ 172.05236 137.4
[M+K]+ 192.98170 134.5
[M-H]- 153.01126 130.2
[M+Na-2H]- 174.99321 136.0
[M]+ 154.01799 130.7
[M]- 154.01909 130.7
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