CID 119901

2,4-dichloro-5-methylthiophenol

Structural Information

Molecular Formula
C7H6Cl2S
SMILES
CC1=CC(=C(C=C1Cl)Cl)S
InChI
InChI=1S/C7H6Cl2S/c1-4-2-7(10)6(9)3-5(4)8/h2-3,10H,1H3
InChIKey
SHBIPXMJAAVLGL-UHFFFAOYSA-N
Compound name
2,4-dichloro-5-methylbenzenethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

191.95673 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.96401 135.5
[M+Na]+ 214.94595 151.5
[M+NH4]+ 209.99055 146.5
[M+K]+ 230.91989 141.0
[M-H]- 190.94945 139.2
[M+Na-2H]- 212.93140 143.1
[M]+ 191.95618 140.1
[M]- 191.95728 140.1
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