CID 10176489

486460-21-3

Structural Information

Molecular Formula

C₆H₇F₃N₄

SMILES

C1CN2C(=NN=C2C(F)(F)F)CN1

InChI

InChI=1S/C6H7F3N4/c7-6(8,9)5-12-11-4-3-10-1-2-13(4)5/h10H,1-3H2

InChIKey

FMTDZGCPYKWMPT-UHFFFAOYSA-N

Compound name

3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1088
Patents: 192.06229 Da
Monoisotopic Mass: -0.5
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]+	193.06957	138.2
[M+Na]+	215.05151	147.4
[M-H]-	191.05501	132.0
[M+NH4]+	210.09611	154.4
[M+K]+	231.02545	143.7
[M+H-H2O]+	175.05955	127.8
[M+HCOO]-	237.06049	149.8
[M+CH3COO]-	251.07614	178.1
[M+Na-2H]-	213.03696	143.8
[M]+	192.06174	130.4
[M]-	192.06284	130.4

Literature stripe

literature stripe

Patent stripe

patents stripe