CID 3493619

2,4-bis(methylthio)-1-chlorobenzene

Structural Information

Molecular Formula
C8H9ClS2
SMILES
CSC1=CC(=C(C=C1)Cl)SC
InChI
InChI=1S/C8H9ClS2/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5H,1-2H3
InChIKey
JOUVKYGYVLQNMM-UHFFFAOYSA-N
Compound name
1-chloro-2,4-bis(methylsulfanyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

203.98341 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.99069 139.1
[M+Na]+ 226.97263 153.3
[M+NH4]+ 222.01723 150.1
[M+K]+ 242.94657 141.3
[M-H]- 202.97613 143.0
[M+Na-2H]- 224.95808 145.5
[M]+ 203.98286 143.7
[M]- 203.98396 143.7
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