CID 3493619

78987-58-3

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 134.2
[M+Na]+ 226.97263 144.5
[M-H]- 202.97613 138.6
[M+NH4]+ 222.01723 155.5
[M+K]+ 242.94657 138.9
[M+H-H2O]+ 186.98067 130.2
[M+HCOO]- 248.98161 143.4
[M+CH3COO]- 262.99726 183.3
[M+Na-2H]- 224.95808 135.4
[M]+ 203.98286 139.0
[M]- 203.98396 139.0
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