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

3
Patents

243.06622 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.07350 152.1
[M+Na]+ 266.05544 158.7
[M-H]- 242.05894 153.7
[M+NH4]+ 261.10004 169.1
[M+K]+ 282.02938 154.9
[M+H-H2O]+ 226.06348 146.8
[M+HCOO]- 288.06442 169.3
[M+CH3COO]- 302.08007 191.0
[M+Na-2H]- 264.04089 154.4
[M]+ 243.06567 153.9
[M]- 243.06677 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