CID 2783212

5-methyl-3-(trifluoromethyl)-1h-1,2,4-triazole

Structural Information

Molecular Formula

C₄H₄F₃N₃

SMILES

CC1=NC(=NN1)C(F)(F)F

InChI

InChI=1S/C4H4F3N3/c1-2-8-3(10-9-2)4(5,6)7/h1H3,(H,8,9,10)

InChIKey

ZWXAVIBKKKTERN-UHFFFAOYSA-N

Compound name

5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 212
Patents: 151.03574 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	152.04302	130.7
[M+Na]+	174.02496	138.7
[M+NH4]+	169.06956	135.3
[M+K]+	189.99890	136.8
[M-H]-	150.02846	125.0
[M+Na-2H]-	172.01041	133.7
[M]+	151.03519	129.7
[M]-	151.03629	129.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe