CID 45789714

4-amino-5-hydroxy-2-(trifluoromethyl)benzonitrile

Structural Information

Molecular Formula
C8H5F3N2O
SMILES
C1=C(C(=CC(=C1O)N)C(F)(F)F)C#N
InChI
InChI=1S/C8H5F3N2O/c9-8(10,11)5-2-6(13)7(14)1-4(5)3-12/h1-2,14H,13H2
InChIKey
GCZQFHANUVAPCO-UHFFFAOYSA-N
Compound name
4-amino-5-hydroxy-2-(trifluoromethyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.0354 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.04268 144.7
[M+Na]+ 225.02462 153.6
[M+NH4]+ 220.06922 146.7
[M+K]+ 240.99856 145.8
[M-H]- 201.02812 134.6
[M+Na-2H]- 223.01007 145.7
[M]+ 202.03485 142.1
[M]- 202.03595 142.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.