CID 45792130

N-[4-(chloromethyl)-1,3-thiazol-2-yl]-n-[4-(trifluoromethyl)phenyl]acetamide

Structural Information

Molecular Formula
C13H10ClF3N2OS
SMILES
CC(=O)N(C1=CC=C(C=C1)C(F)(F)F)C2=NC(=CS2)CCl
InChI
InChI=1S/C13H10ClF3N2OS/c1-8(20)19(12-18-10(6-14)7-21-12)11-4-2-9(3-5-11)13(15,16)17/h2-5,7H,6H2,1H3
InChIKey
RDAWMRIUYZEKHG-UHFFFAOYSA-N
Compound name
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.01544 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.02272 168.3
[M+Na]+ 357.00466 177.9
[M-H]- 333.00816 171.9
[M+NH4]+ 352.04926 184.5
[M+K]+ 372.97860 172.7
[M+H-H2O]+ 317.01270 159.0
[M+HCOO]- 379.01364 179.0
[M+CH3COO]- 393.02929 208.5
[M+Na-2H]- 354.99011 167.5
[M]+ 334.01489 170.4
[M]- 334.01599 170.4
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.