CID 16786184

2731011-15-5

Structural Information

Molecular Formula
C9H7F3N2S
SMILES
C1=CC(=CC=C1C(C#N)N)SC(F)(F)F
InChI
InChI=1S/C9H7F3N2S/c10-9(11,12)15-7-3-1-6(2-4-7)8(14)5-13/h1-4,8H,14H2
InChIKey
GCRYPQGJURZRBT-UHFFFAOYSA-N
Compound name
2-amino-2-[4-(trifluoromethylsulfanyl)phenyl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.0282 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.03548 147.5
[M+Na]+ 255.01742 155.8
[M+NH4]+ 250.06202 150.4
[M+K]+ 270.99136 146.2
[M-H]- 231.02092 138.2
[M+Na-2H]- 253.00287 148.9
[M]+ 232.02765 145.5
[M]- 232.02875 145.5
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.