CID 2777968

502496-30-2

Structural Information

Molecular Formula

C₆H₅F₃N₂

SMILES

C1=CC(=C(C(=C1NN)F)F)F

InChI

InChI=1S/C6H5F3N2/c7-3-1-2-4(11-10)6(9)5(3)8/h1-2,11H,10H2

InChIKey

ONWVPBUQBGCQRR-UHFFFAOYSA-N

Compound name

(2,3,4-trifluorophenyl)hydrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 162.04048 Da
Monoisotopic Mass: 1.5
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]+	163.047756	125.6
[M+Na]+	185.029698	135.5
[M-H]-	161.033204	125.9
[M+NH4]+	180.074303	146.1
[M+K]+	201.003638	132.6
[M+H-H2O]+	145.037740	117.6
[M+HCOO]-	207.038681	149.3
[M+CH3COO]-	221.054331	183.0
[M+Na-2H]-	183.015146	131.0
[M]+	162.03993142	119.5
[M]-	162.04102858	119.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe