CID 2735952

4-amino-3-(trifluoromethoxy)benzonitrile

Structural Information

Molecular Formula

C₈H₅F₃N₂O

SMILES

C1=CC(=C(C=C1C#N)OC(F)(F)F)N

InChI

InChI=1S/C8H5F3N2O/c9-8(10,11)14-7-3-5(4-12)1-2-6(7)13/h1-3H,13H2

InChIKey

QNJPSMLILRHZOW-UHFFFAOYSA-N

Compound name

4-amino-3-(trifluoromethoxy)benzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 191
Patents: 202.0354 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]+	203.04268	145.1
[M+Na]+	225.02462	154.2
[M+NH4]+	220.06922	147.4
[M+K]+	240.99856	145.9
[M-H]-	201.02812	135.4
[M+Na-2H]-	223.01007	146.7
[M]+	202.03485	142.6
[M]-	202.03595	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe