CID 53543104

N-cyclopropyl-1-(4-fluorophenyl)-5-(trifluoromethyl)-1h-1,2,3-triazole-4-carboxamide

Structural Information

Molecular Formula
C13H10F4N4O
SMILES
C1CC1NC(=O)C2=C(N(N=N2)C3=CC=C(C=C3)F)C(F)(F)F
InChI
InChI=1S/C13H10F4N4O/c14-7-1-5-9(6-2-7)21-11(13(15,16)17)10(19-20-21)12(22)18-8-3-4-8/h1-2,5-6,8H,3-4H2,(H,18,22)
InChIKey
UFSKVYFFPVYZNT-UHFFFAOYSA-N
Compound name
N-cyclopropyl-1-(4-fluorophenyl)-5-(trifluoromethyl)triazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.07907 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.08635 164.6
[M+Na]+ 337.06829 175.5
[M-H]- 313.07179 166.6
[M+NH4]+ 332.11289 172.0
[M+K]+ 353.04223 168.6
[M+H-H2O]+ 297.07633 152.4
[M+HCOO]- 359.07727 181.4
[M+CH3COO]- 373.09292 208.1
[M+Na-2H]- 335.05374 166.5
[M]+ 314.07852 162.3
[M]- 314.07962 162.3
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.