CID 43700306

2-chloro-n-(3-hydroxy-4-methoxyphenyl)acetamide

Structural Information

Molecular Formula
C9H10ClNO3
SMILES
COC1=C(C=C(C=C1)NC(=O)CCl)O
InChI
InChI=1S/C9H10ClNO3/c1-14-8-3-2-6(4-7(8)12)11-9(13)5-10/h2-4,12H,5H2,1H3,(H,11,13)
InChIKey
IYRSATAFJOVEBI-UHFFFAOYSA-N
Compound name
2-chloro-N-(3-hydroxy-4-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

215.03493 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.042206 142.1
[M+Na]+ 238.024148 150.8
[M-H]- 214.027654 144.9
[M+NH4]+ 233.068753 160.9
[M+K]+ 253.998088 147.4
[M+H-H2O]+ 198.032190 137.4
[M+HCOO]- 260.033131 161.6
[M+CH3COO]- 274.048781 185.2
[M+Na-2H]- 236.009596 147.0
[M]+ 215.03438142 145.1
[M]- 215.03547858 145.1
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