CID 211464

2-amino-1-(4-chlorophenyl)propan-1-one hydrochloride

Structural Information

Molecular Formula
C9H10ClNO
SMILES
CC(C(=O)C1=CC=C(C=C1)Cl)N
InChI
InChI=1S/C9H10ClNO/c1-6(11)9(12)7-2-4-8(10)5-3-7/h2-6H,11H2,1H3
InChIKey
PWNZKQBNTIOCAT-UHFFFAOYSA-N
Compound name
2-amino-1-(4-chlorophenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

73
Patents

183.04509 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.05237 137.0
[M+Na]+ 206.03431 145.1
[M-H]- 182.03781 140.3
[M+NH4]+ 201.07891 157.3
[M+K]+ 222.00825 141.5
[M+H-H2O]+ 166.04235 132.3
[M+HCOO]- 228.04329 155.9
[M+CH3COO]- 242.05894 183.3
[M+Na-2H]- 204.01976 140.8
[M]+ 183.04454 137.0
[M]- 183.04564 137.0
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