CID 21637

Acetophenone, 2-amino-4'-chloro-, hydrochloride

Structural Information

Molecular Formula
C8H8ClNO
SMILES
C1=CC(=CC=C1C(=O)CN)Cl
InChI
InChI=1S/C8H8ClNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4H,5,10H2
InChIKey
KIFWACLIANOVDG-UHFFFAOYSA-N
Compound name
2-amino-1-(4-chlorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

435
Patents

169.02943 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.03671 132.3
[M+Na]+ 192.01865 141.0
[M-H]- 168.02215 135.7
[M+NH4]+ 187.06325 153.2
[M+K]+ 207.99259 137.3
[M+H-H2O]+ 152.02669 127.7
[M+HCOO]- 214.02763 152.5
[M+CH3COO]- 228.04328 179.4
[M+Na-2H]- 190.00410 137.8
[M]+ 169.02888 132.5
[M]- 169.02998 132.5
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