CID 16784690

2-amino-2-(4-(trifluoromethyl)phenyl)acetonitrile

Structural Information

Molecular Formula
C9H7F3N2
SMILES
C1=CC(=CC=C1C(C#N)N)C(F)(F)F
InChI
InChI=1S/C9H7F3N2/c10-9(11,12)7-3-1-6(2-4-7)8(14)5-13/h1-4,8H,14H2
InChIKey
XNINJDSNBGQKDL-UHFFFAOYSA-N
Compound name
2-amino-2-[4-(trifluoromethyl)phenyl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

200.05614 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.06342 140.2
[M+Na]+ 223.04536 149.5
[M-H]- 199.04886 139.4
[M+NH4]+ 218.08996 156.8
[M+K]+ 239.01930 146.4
[M+H-H2O]+ 183.05340 125.8
[M+HCOO]- 245.05434 156.1
[M+CH3COO]- 259.06999 198.3
[M+Na-2H]- 221.03081 143.9
[M]+ 200.05559 129.2
[M]- 200.05669 129.2
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