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

53
Patents

202.0354 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.04268 137.1
[M+Na]+ 225.02462 147.8
[M-H]- 201.02812 136.7
[M+NH4]+ 220.06922 153.9
[M+K]+ 240.99856 145.1
[M+H-H2O]+ 185.03266 122.9
[M+HCOO]- 247.03360 154.5
[M+CH3COO]- 261.04925 197.7
[M+Na-2H]- 223.01007 142.0
[M]+ 202.03485 128.0
[M]- 202.03595 128.0
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

patents stripe