CID 54592486

2-chloro-n-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide

Structural Information

Molecular Formula
C14H19ClFNO
SMILES
CC(C)(C)CC(C1=CC=C(C=C1)F)NC(=O)CCl
InChI
InChI=1S/C14H19ClFNO/c1-14(2,3)8-12(17-13(18)9-15)10-4-6-11(16)7-5-10/h4-7,12H,8-9H2,1-3H3,(H,17,18)
InChIKey
MIDZNHGUTAXMPQ-UHFFFAOYSA-N
Compound name
2-chloro-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.11392 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.12120 162.0
[M+Na]+ 294.10314 168.6
[M-H]- 270.10664 164.0
[M+NH4]+ 289.14774 179.2
[M+K]+ 310.07708 164.2
[M+H-H2O]+ 254.11118 155.9
[M+HCOO]- 316.11212 177.3
[M+CH3COO]- 330.12777 200.7
[M+Na-2H]- 292.08859 164.3
[M]+ 271.11337 163.2
[M]- 271.11447 163.2
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.