CID 706933

92712-48-6

Structural Information

Molecular Formula

C₈H₅F₃N₄

SMILES

C1=CC(=CC(=C1)C(F)(F)F)C2=NNN=N2

InChI

InChI=1S/C8H5F3N4/c9-8(10,11)6-3-1-2-5(4-6)7-12-14-15-13-7/h1-4H,(H,12,13,14,15)

InChIKey

KWSLGOVYXMQPPX-UHFFFAOYSA-N

Compound name

5-[3-(trifluoromethyl)phenyl]-2H-tetrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 45365
Patents: 214.04663 Da
Monoisotopic Mass: 2.0
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]+	215.05391	143.2
[M+Na]+	237.03585	152.9
[M+NH4]+	232.08045	147.5
[M+K]+	253.00979	150.1
[M-H]-	213.03935	139.2
[M+Na-2H]-	235.02130	148.8
[M]+	214.04608	143.0
[M]-	214.04718	143.0

Literature stripe

literature stripe

Patent stripe

patents stripe