CID 2546104

2-chloro-n-[2-(1h-1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide

Structural Information

Molecular Formula
C11H8ClF3N4O
SMILES
C1=CC(=C(C=C1C(F)(F)F)NC(=O)CCl)N2C=NC=N2
InChI
InChI=1S/C11H8ClF3N4O/c12-4-10(20)18-8-3-7(11(13,14)15)1-2-9(8)19-6-16-5-17-19/h1-3,5-6H,4H2,(H,18,20)
InChIKey
VWTMVJCKFWHJLK-UHFFFAOYSA-N
Compound name
2-chloro-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.03387 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.04115 160.2
[M+Na]+ 327.02309 169.1
[M+NH4]+ 322.06769 164.1
[M+K]+ 342.99703 166.4
[M-H]- 303.02659 156.9
[M+Na-2H]- 325.00854 165.0
[M]+ 304.03332 160.3
[M]- 304.03442 160.3
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.