CID 572460

2-(4-(3-chloro-2-hydroxypropoxy)phenyl)acetamide

Structural Information

Molecular Formula
C11H14ClNO3
SMILES
C1=CC(=CC=C1CC(=O)N)OCC(CCl)O
InChI
InChI=1S/C11H14ClNO3/c12-6-9(14)7-16-10-3-1-8(2-4-10)5-11(13)15/h1-4,9,14H,5-7H2,(H2,13,15)
InChIKey
OQFMSHFNOSFLJU-UHFFFAOYSA-N
Compound name
2-[4-(3-chloro-2-hydroxypropoxy)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

243.06622 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.073496 152.1
[M+Na]+ 266.055438 158.7
[M-H]- 242.058944 153.7
[M+NH4]+ 261.100043 169.1
[M+K]+ 282.029378 154.9
[M+H-H2O]+ 226.063480 146.8
[M+HCOO]- 288.064421 169.3
[M+CH3COO]- 302.080071 191.0
[M+Na-2H]- 264.040886 154.4
[M]+ 243.06567142 153.9
[M]- 243.06676858 153.9
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