CID 2736995

175202-76-3

Structural Information

Molecular Formula
C9H7ClN2O2S3
SMILES
CSC1=NC=CC(=N1)C2=CC=C(S2)S(=O)(=O)Cl
InChI
InChI=1S/C9H7ClN2O2S3/c1-15-9-11-5-4-6(12-9)7-2-3-8(16-7)17(10,13)14/h2-5H,1H3
InChIKey
NHYJWHQTVHUETC-UHFFFAOYSA-N
Compound name
5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

305.93582 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.94310 165.5
[M+Na]+ 328.92504 177.8
[M+NH4]+ 323.96964 173.6
[M+K]+ 344.89898 167.7
[M-H]- 304.92854 167.6
[M+Na-2H]- 326.91049 170.2
[M]+ 305.93527 169.5
[M]- 305.93637 169.5
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