CID 10871

4'-chloroacetanilide

Structural Information

Molecular Formula
C8H8ClNO
SMILES
CC(=O)NC1=CC=C(C=C1)Cl
InChI
InChI=1S/C8H8ClNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)
InChIKey
GGUOCFNAWIODMF-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

15
References

894
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 131.9
[M+Na]+ 192.01865 140.7
[M-H]- 168.02215 135.9
[M+NH4]+ 187.06325 153.2
[M+K]+ 207.99259 137.3
[M+H-H2O]+ 152.02669 127.3
[M+HCOO]- 214.02763 152.7
[M+CH3COO]- 228.04328 179.4
[M+Na-2H]- 190.00410 138.5
[M]+ 169.02888 133.1
[M]- 169.02998 133.1
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