CID 736991

2-chloro-2'-methoxy-5'-methylacetanilide

Structural Information

Molecular Formula
C10H12ClNO2
SMILES
CC1=CC(=C(C=C1)OC)NC(=O)CCl
InChI
InChI=1S/C10H12ClNO2/c1-7-3-4-9(14-2)8(5-7)12-10(13)6-11/h3-5H,6H2,1-2H3,(H,12,13)
InChIKey
ZVVBFKIUBBHWEV-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-methoxy-5-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

213.05565 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.06293 143.7
[M+Na]+ 236.04487 152.5
[M-H]- 212.04837 147.7
[M+NH4]+ 231.08947 163.4
[M+K]+ 252.01881 149.2
[M+H-H2O]+ 196.05291 138.7
[M+HCOO]- 258.05385 164.1
[M+CH3COO]- 272.06950 188.6
[M+Na-2H]- 234.03032 148.5
[M]+ 213.05510 147.5
[M]- 213.05620 147.5
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