CID 29919764

2-amino-5-(trifluoromethoxy)benzonitrile

Structural Information

Molecular Formula

C₈H₅F₃N₂O

SMILES

C1=CC(=C(C=C1OC(F)(F)F)C#N)N

InChI

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

InChIKey

IEAPDKSDIISMDE-UHFFFAOYSA-N

Compound name

2-amino-5-(trifluoromethoxy)benzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 202.0354 Da
Monoisotopic Mass: 2.7
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]+	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