CID 23380945

56762-32-4

Structural Information

Molecular Formula
C8H8ClNO
SMILES
CC(=O)C1=C(C(=CC=C1)Cl)N
InChI
InChI=1S/C8H8ClNO/c1-5(11)6-3-2-4-7(9)8(6)10/h2-4H,10H2,1H3
InChIKey
RVYRSQRMEZKASP-UHFFFAOYSA-N
Compound name
1-(2-amino-3-chlorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

169.02943 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.03671 131.8
[M+Na]+ 192.01865 141.5
[M-H]- 168.02215 135.6
[M+NH4]+ 187.06325 153.0
[M+K]+ 207.99259 137.8
[M+H-H2O]+ 152.02669 127.5
[M+HCOO]- 214.02763 152.0
[M+CH3COO]- 228.04328 180.5
[M+Na-2H]- 190.00410 136.6
[M]+ 169.02888 132.4
[M]- 169.02998 132.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe