CID 23034834

2-fluoro-4-(trifluoromethylthio)aniline

Structural Information

Molecular Formula
C7H5F4NS
SMILES
C1=CC(=C(C=C1SC(F)(F)F)F)N
InChI
InChI=1S/C7H5F4NS/c8-5-3-4(1-2-6(5)12)13-7(9,10)11/h1-3H,12H2
InChIKey
QNQRDYVNFVFUES-UHFFFAOYSA-N
Compound name
2-fluoro-4-(trifluoromethylsulfanyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

211.00789 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.01517 145.7
[M+Na]+ 233.99711 153.2
[M+NH4]+ 229.04171 151.2
[M+K]+ 249.97105 146.8
[M-H]- 210.00061 142.5
[M+Na-2H]- 231.98256 148.8
[M]+ 211.00734 146.0
[M]- 211.00844 146.0
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