CID 244436

N-(2-chloro-6-methylphenyl)formamide

Structural Information

Molecular Formula
C8H8ClNO
SMILES
CC1=C(C(=CC=C1)Cl)NC=O
InChI
InChI=1S/C8H8ClNO/c1-6-3-2-4-7(9)8(6)10-5-11/h2-5H,1H3,(H,10,11)
InChIKey
LQFYPTOAUKUFRD-UHFFFAOYSA-N
Compound name
N-(2-chloro-6-methylphenyl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

169.02943 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.036706 131.1
[M+Na]+ 192.018648 141.0
[M-H]- 168.022154 135.3
[M+NH4]+ 187.063253 152.6
[M+K]+ 207.992588 137.2
[M+H-H2O]+ 152.026690 126.6
[M+HCOO]- 214.027631 152.9
[M+CH3COO]- 228.043281 180.3
[M+Na-2H]- 190.004096 138.3
[M]+ 169.02888142 133.4
[M]- 169.02997858 133.4
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