CID 14643298

(3,5-dichlorophenyl)methanethiol

Structural Information

Molecular Formula
C7H6Cl2S
SMILES
C1=C(C=C(C=C1Cl)Cl)CS
InChI
InChI=1S/C7H6Cl2S/c8-6-1-5(4-10)2-7(9)3-6/h1-3,10H,4H2
InChIKey
UBLZAMTZNIMTDD-UHFFFAOYSA-N
Compound name
(3,5-dichlorophenyl)methanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

191.95673 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.96401 135.3
[M+Na]+ 214.94595 151.1
[M+NH4]+ 209.99055 146.4
[M+K]+ 230.91989 140.3
[M-H]- 190.94945 139.0
[M+Na-2H]- 212.93140 143.1
[M]+ 191.95618 139.9
[M]- 191.95728 139.9
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

patents stripe