CID 3330

Fccp

Structural Information

Molecular Formula

C₁₀H₅F₃N₄O

SMILES

C1=CC(=CC=C1NN=C(C#N)C#N)OC(F)(F)F

InChI

InChI=1S/C10H5F3N4O/c11-10(12,13)18-9-3-1-7(2-4-9)16-17-8(5-14)6-15/h1-4,16H

InChIKey

BMZRVOVNUMQTIN-UHFFFAOYSA-N

Compound name

2-[[4-(trifluoromethoxy)phenyl]hydrazinylidene]propanedinitrile

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1656
References: 7235
Patents: 254.04155 Da
Monoisotopic Mass: 3.7
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]+	255.04883	180.0
[M+Na]+	277.03077	186.4
[M+NH4]+	272.07537	178.6
[M+K]+	293.00471	176.1
[M-H]-	253.03427	167.1
[M+Na-2H]-	275.01622	177.7
[M]+	254.04100	175.9
[M]-	254.04210	175.9

Literature stripe

literature stripe

Patent stripe

patents stripe