CID 688194

26198-21-0

Structural Information

Molecular Formula

C₇H₄F₃N₃O

SMILES

C1=CC2=C(C=C1C(F)(F)F)N(N=N2)O

InChI

InChI=1S/C7H4F3N3O/c8-7(9,10)4-1-2-5-6(3-4)13(14)12-11-5/h1-3,14H

InChIKey

DGIBHCWBCOAPDN-UHFFFAOYSA-N

Compound name

1-hydroxy-6-(trifluoromethyl)benzotriazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 342
Patents: 203.03064 Da
Monoisotopic Mass: 2.1
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]+	204.03792	135.9
[M+Na]+	226.01986	148.7
[M-H]-	202.02336	132.7
[M+NH4]+	221.06446	153.7
[M+K]+	241.99380	144.7
[M+H-H2O]+	186.02790	126.7
[M+HCOO]-	248.02884	153.2
[M+CH3COO]-	262.04449	180.3
[M+Na-2H]-	224.00531	143.7
[M]+	203.03009	134.1
[M]-	203.03119	134.1

Literature stripe

literature stripe

Patent stripe

patents stripe