CID 14685588

125903-76-6

Structural Information

Molecular Formula

C₉H₉F₃N₂

SMILES

C1=CC(=CC(=C1)C(F)(F)F)CC(=N)N

InChI

InChI=1S/C9H9F3N2/c10-9(11,12)7-3-1-2-6(4-7)5-8(13)14/h1-4H,5H2,(H3,13,14)

InChIKey

VXULOLKXRQPFNY-UHFFFAOYSA-N

Compound name

2-[3-(trifluoromethyl)phenyl]ethanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 202.07178 Da
Monoisotopic Mass: 2.1
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]+	203.07906	139.3
[M+Na]+	225.06100	146.6
[M-H]-	201.06450	138.7
[M+NH4]+	220.10560	157.5
[M+K]+	241.03494	143.2
[M+H-H2O]+	185.06904	130.9
[M+HCOO]-	247.06998	159.6
[M+CH3COO]-	261.08563	189.4
[M+Na-2H]-	223.04645	143.8
[M]+	202.07123	131.5
[M]-	202.07233	131.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe