CID 122454

29684-26-2

Structural Information

Molecular Formula

C₈H₃F₆N₂

SMILES

C1=C(C=C(C=C1C(F)(F)F)[N+]#N)C(F)(F)F

InChI

InChI=1S/C8H3F6N2/c9-7(10,11)4-1-5(8(12,13)14)3-6(2-4)16-15/h1-3H/q+1

InChIKey

OBUHATYQFHFCRT-UHFFFAOYSA-N

Compound name

3,5-bis(trifluoromethyl)benzenediazonium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3
Patents: 241.02003 Da
Monoisotopic Mass: 4.9
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]+	242.02731	156.5
[M+Na]+	264.00925	164.2
[M+NH4]+	259.05385	157.8
[M+K]+	279.98319	157.4
[M-H]-	240.01275	146.6
[M+Na-2H]-	261.99470	157.4
[M]+	241.01948	154.3
[M]-	241.02058	154.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe