CID 3838097

2-nitro-4-(trifluoromethyl)phenylhydrazine

Structural Information

Molecular Formula

C₇H₆F₃N₃O₂

SMILES

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])NN

InChI

InChI=1S/C7H6F3N3O2/c8-7(9,10)4-1-2-5(12-11)6(3-4)13(14)15/h1-3,12H,11H2

InChIKey

WJBJSMUUWDXKBR-UHFFFAOYSA-N

Compound name

[2-nitro-4-(trifluoromethyl)phenyl]hydrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 24
Patents: 221.04121 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]+	222.04849	133.4
[M+Na]+	244.03043	141.5
[M+NH4]+	239.07503	138.5
[M+K]+	260.00437	140.7
[M-H]-	220.03393	132.2
[M+Na-2H]-	242.01588	137.8
[M]+	221.04066	133.6
[M]-	221.04176	133.6

Literature stripe

literature stripe

Patent stripe

patents stripe