CID 16784690

167024-67-1

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]+ 201.063416 140.2
[M+Na]+ 223.045358 149.5
[M-H]- 199.048864 139.4
[M+NH4]+ 218.089963 156.8
[M+K]+ 239.019298 146.4
[M+H-H2O]+ 183.053400 125.8
[M+HCOO]- 245.054341 156.1
[M+CH3COO]- 259.069991 198.3
[M+Na-2H]- 221.030806 143.9
[M]+ 200.05559142 129.2
[M]- 200.05668858 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