CID 6409660

1548-67-0

Structural Information

Molecular Formula

C₇H₄F₃N₃

SMILES

C1=CC2=NNN=C2C=C1C(F)(F)F

InChI

InChI=1S/C7H4F3N3/c8-7(9,10)4-1-2-5-6(3-4)12-13-11-5/h1-3H,(H,11,12,13)

InChIKey

GLSKMRNRRMNAQS-UHFFFAOYSA-N

Compound name

5-(trifluoromethyl)-2H-benzotriazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 236
Patents: 187.03574 Da
Monoisotopic Mass: 1.9
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]+	188.04302	134.8
[M+Na]+	210.02496	144.9
[M+NH4]+	205.06956	140.3
[M+K]+	225.99890	141.9
[M-H]-	186.02846	130.4
[M+Na-2H]-	208.01041	139.5
[M]+	187.03519	134.7
[M]-	187.03629	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe