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]+ 209.99503 134.2
[M+Na]+ 231.97697 143.9
[M-H]- 207.98047 135.3
[M+NH4]+ 227.02157 154.2
[M+K]+ 247.95091 138.7
[M+H-H2O]+ 191.98501 128.0
[M+HCOO]- 253.98595 146.6
[M+CH3COO]- 268.00160 185.6
[M+Na-2H]- 229.96242 135.4
[M]+ 208.98720 133.6
[M]- 208.98830 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.