CID 319488

4'-chloro-n-methylformanilide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

169.02943 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.036706 131.1
[M+Na]+ 192.018648 140.3
[M-H]- 168.022154 136.5
[M+NH4]+ 187.063253 153.0
[M+K]+ 207.992588 137.8
[M+H-H2O]+ 152.026690 126.2
[M+HCOO]- 214.027631 153.4
[M+CH3COO]- 228.043281 182.7
[M+Na-2H]- 190.004096 138.3
[M]+ 169.02888142 134.3
[M]- 169.02997858 134.3
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