CID 15158610

128852-03-9

Structural Information

Molecular Formula
C7H4ClNO2S2
SMILES
C1=CC2=C(SN=C2C=C1)S(=O)(=O)Cl
InChI
InChI=1S/C7H4ClNO2S2/c8-13(10,11)7-5-3-1-2-4-6(5)9-12-7/h1-4H
InChIKey
HRYOQNVCWHDDPC-UHFFFAOYSA-N
Compound name
2,1-benzothiazole-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.9372 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.94448 144.0
[M+Na]+ 255.92642 157.7
[M-H]- 231.92992 148.8
[M+NH4]+ 250.97102 165.6
[M+K]+ 271.90036 152.3
[M+H-H2O]+ 215.93446 140.4
[M+HCOO]- 277.93540 154.1
[M+CH3COO]- 291.95105 158.2
[M+Na-2H]- 253.91187 148.8
[M]+ 232.93665 151.2
[M]- 232.93775 151.2
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

No patent data available for this compound.