CID 54592477

2-chloro-n-{1-[4-(trifluoromethoxy)phenyl]ethyl}acetamide

Structural Information

Molecular Formula
C11H11ClF3NO2
SMILES
CC(C1=CC=C(C=C1)OC(F)(F)F)NC(=O)CCl
InChI
InChI=1S/C11H11ClF3NO2/c1-7(16-10(17)6-12)8-2-4-9(5-3-8)18-11(13,14)15/h2-5,7H,6H2,1H3,(H,16,17)
InChIKey
QLZKQLKMOXKABO-UHFFFAOYSA-N
Compound name
2-chloro-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.04303 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.05031 155.4
[M+Na]+ 304.03225 163.3
[M-H]- 280.03575 155.1
[M+NH4]+ 299.07685 172.0
[M+K]+ 320.00619 159.3
[M+H-H2O]+ 264.04029 147.7
[M+HCOO]- 326.04123 169.8
[M+CH3COO]- 340.05688 199.2
[M+Na-2H]- 302.01770 158.3
[M]+ 281.04248 154.6
[M]- 281.04358 154.6
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.