CID 119022900

1989659-10-0

Structural Information

Molecular Formula
C8H7ClF3NS
SMILES
CSC1=C(C=C(C(=C1)Cl)C(F)(F)F)N
InChI
InChI=1S/C8H7ClF3NS/c1-14-7-3-5(9)4(2-6(7)13)8(10,11)12/h2-3H,13H2,1H3
InChIKey
QOSUHKLAUWJMHY-UHFFFAOYSA-N
Compound name
4-chloro-2-methylsulfanyl-5-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.99399 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.00127 147.6
[M+Na]+ 263.98321 157.1
[M+NH4]+ 259.02781 154.3
[M+K]+ 279.95715 149.8
[M-H]- 239.98671 145.8
[M+Na-2H]- 261.96866 151.4
[M]+ 240.99344 148.9
[M]- 240.99454 148.9
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.