CID 3647459

5'-chloro-2'-hydroxy-p-acetotoluidide

Structural Information

Molecular Formula
C9H10ClNO2
SMILES
CC1=CC(=C(C=C1Cl)NC(=O)C)O
InChI
InChI=1S/C9H10ClNO2/c1-5-3-9(13)8(4-7(5)10)11-6(2)12/h3-4,13H,1-2H3,(H,11,12)
InChIKey
NOTGPOHVOYWBLO-UHFFFAOYSA-N
Compound name
N-(5-chloro-2-hydroxy-4-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

199.04001 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.047286 139.0
[M+Na]+ 222.029228 148.8
[M-H]- 198.032734 142.2
[M+NH4]+ 217.073833 158.9
[M+K]+ 238.003168 144.9
[M+H-H2O]+ 182.037270 134.9
[M+HCOO]- 244.038211 158.3
[M+CH3COO]- 258.053861 184.3
[M+Na-2H]- 220.014676 143.2
[M]+ 199.03946142 141.0
[M]- 199.04055858 141.0
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