CID 28377537

5-chloro-2-[(2,2,2-trifluoroethyl)sulfanyl]aniline

Structural Information

Molecular Formula
C8H7ClF3NS
SMILES
C1=CC(=C(C=C1Cl)N)SCC(F)(F)F
InChI
InChI=1S/C8H7ClF3NS/c9-5-1-2-7(6(13)3-5)14-4-8(10,11)12/h1-3H,4,13H2
InChIKey
SUSUIDNJYVJCOU-UHFFFAOYSA-N
Compound name
5-chloro-2-(2,2,2-trifluoroethylsulfanyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.99399 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.00127 146.5
[M+Na]+ 263.98321 155.8
[M+NH4]+ 259.02781 153.3
[M+K]+ 279.95715 148.3
[M-H]- 239.98671 144.7
[M+Na-2H]- 261.96866 150.7
[M]+ 240.99344 147.8
[M]- 240.99454 147.8
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.