CID 42926973

2-chloro-n-[1-(4-fluorophenyl)-2-methylpropyl]acetamide

Structural Information

Molecular Formula
C12H15ClFNO
SMILES
CC(C)C(C1=CC=C(C=C1)F)NC(=O)CCl
InChI
InChI=1S/C12H15ClFNO/c1-8(2)12(15-11(16)7-13)9-3-5-10(14)6-4-9/h3-6,8,12H,7H2,1-2H3,(H,15,16)
InChIKey
JOQZXBVOQPSCHQ-UHFFFAOYSA-N
Compound name
2-chloro-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.08263 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.08991 152.9
[M+Na]+ 266.07185 159.5
[M-H]- 242.07535 154.9
[M+NH4]+ 261.11645 170.9
[M+K]+ 282.04579 155.7
[M+H-H2O]+ 226.07989 146.7
[M+HCOO]- 288.08083 169.4
[M+CH3COO]- 302.09648 195.9
[M+Na-2H]- 264.05730 154.3
[M]+ 243.08208 153.3
[M]- 243.08318 153.3
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.