CID 14089755

13150-73-7

Structural Information

Molecular Formula
C7H7ClOS
SMILES
CS(=O)C1=CC(=CC=C1)Cl
InChI
InChI=1S/C7H7ClOS/c1-10(9)7-4-2-3-6(8)5-7/h2-5H,1H3
InChIKey
FTZNJCGVVUVWFH-UHFFFAOYSA-N
Compound name
1-chloro-3-methylsulfinylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

173.99062 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.997896 128.6
[M+Na]+ 196.979838 138.6
[M-H]- 172.983344 133.2
[M+NH4]+ 192.024443 150.6
[M+K]+ 212.953778 134.9
[M+H-H2O]+ 156.987880 124.6
[M+HCOO]- 218.988821 143.4
[M+CH3COO]- 233.004471 176.2
[M+Na-2H]- 194.965286 132.3
[M]+ 173.99007142 132.4
[M]- 173.99116858 132.4
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