CID 4961965

2-chloro-n-methyl-n-(1-phenylethyl)acetamide

Structural Information

Molecular Formula
C11H14ClNO
SMILES
CC(C1=CC=CC=C1)N(C)C(=O)CCl
InChI
InChI=1S/C11H14ClNO/c1-9(13(2)11(14)8-12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKey
QBURJKXCINMVEV-UHFFFAOYSA-N
Compound name
2-chloro-N-methyl-N-(1-phenylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.07639 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.08367 146.1
[M+Na]+ 234.06561 152.6
[M-H]- 210.06911 150.8
[M+NH4]+ 229.11021 166.0
[M+K]+ 250.03955 150.3
[M+H-H2O]+ 194.07365 140.6
[M+HCOO]- 256.07459 165.5
[M+CH3COO]- 270.09024 191.7
[M+Na-2H]- 232.05106 149.8
[M]+ 211.07584 148.8
[M]- 211.07694 148.8
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.