CID 43304809

3-chloro-2-[(difluoromethyl)sulfanyl]aniline hydrochloride

Structural Information

Molecular Formula
C7H6ClF2NS
SMILES
C1=CC(=C(C(=C1)Cl)SC(F)F)N
InChI
InChI=1S/C7H6ClF2NS/c8-4-2-1-3-5(11)6(4)12-7(9)10/h1-3,7H,11H2
InChIKey
HFMCWOZPNGFJGF-UHFFFAOYSA-N
Compound name
3-chloro-2-(difluoromethylsulfanyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.98775 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.995026 134.2
[M+Na]+ 231.976968 143.9
[M-H]- 207.980474 135.3
[M+NH4]+ 227.021573 154.2
[M+K]+ 247.950908 138.7
[M+H-H2O]+ 191.985010 128.0
[M+HCOO]- 253.985951 146.6
[M+CH3COO]- 268.001601 185.6
[M+Na-2H]- 229.962416 135.4
[M]+ 208.98720142 133.6
[M]- 208.98829858 133.6
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.