CID 4413679

2-chloro-n-(4-ethylphenyl)propanamide

Structural Information

Molecular Formula
C11H14ClNO
SMILES
CCC1=CC=C(C=C1)NC(=O)C(C)Cl
InChI
InChI=1S/C11H14ClNO/c1-3-9-4-6-10(7-5-9)13-11(14)8(2)12/h4-8H,3H2,1-2H3,(H,13,14)
InChIKey
IAYXTUQFAKJQOV-UHFFFAOYSA-N
Compound name
2-chloro-N-(4-ethylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.07639 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.08367 146.0
[M+Na]+ 234.06561 153.3
[M-H]- 210.06911 149.6
[M+NH4]+ 229.11021 165.6
[M+K]+ 250.03955 149.7
[M+H-H2O]+ 194.07365 140.9
[M+HCOO]- 256.07459 164.9
[M+CH3COO]- 270.09024 189.3
[M+Na-2H]- 232.05106 149.8
[M]+ 211.07584 147.8
[M]- 211.07694 147.8
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

No patent data available for this compound.