CID 7566955

2-phenyl-1-(trifluoromethyl)hydrazine

Structural Information

Molecular Formula

C₇H₇F₃N₂

SMILES

C1=CC=C(C=C1)NNC(F)(F)F

InChI

InChI=1S/C7H7F3N2/c8-7(9,10)12-11-6-4-2-1-3-5-6/h1-5,11-12H

InChIKey

LJORWWOXCXNLOT-UHFFFAOYSA-N

Compound name

1-phenyl-2-(trifluoromethyl)hydrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 72
Patents: 176.05614 Da
Monoisotopic Mass: 2.9
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]+	177.063416	130.2
[M+Na]+	199.045358	137.3
[M-H]-	175.048864	129.9
[M+NH4]+	194.089963	149.6
[M+K]+	215.019298	134.9
[M+H-H2O]+	159.053400	121.8
[M+HCOO]-	221.054341	152.6
[M+CH3COO]-	235.069991	182.9
[M+Na-2H]-	197.030806	138.9
[M]+	176.05559142	123.7
[M]-	176.05668858	123.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe