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

16
Patents

215.03493 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.04221 142.1
[M+Na]+ 238.02415 150.8
[M-H]- 214.02765 144.9
[M+NH4]+ 233.06875 160.9
[M+K]+ 253.99809 147.4
[M+H-H2O]+ 198.03219 137.4
[M+HCOO]- 260.03313 161.6
[M+CH3COO]- 274.04878 185.2
[M+Na-2H]- 236.00960 147.0
[M]+ 215.03438 145.1
[M]- 215.03548 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