CID 119030932

1803601-02-6

Structural Information

Molecular Formula
C7H4ClNO5S2
SMILES
C1=CC2=C(C=C1S(=O)(=O)Cl)C(=O)NS2(=O)=O
InChI
InChI=1S/C7H4ClNO5S2/c8-15(11,12)4-1-2-6-5(3-4)7(10)9-16(6,13)14/h1-3H,(H,9,10)
InChIKey
FAMOQWHXWQHRKR-UHFFFAOYSA-N
Compound name
1,1,3-trioxo-1,2-benzothiazole-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.92194 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.92922 152.2
[M+Na]+ 303.91116 165.0
[M-H]- 279.91466 155.2
[M+NH4]+ 298.95576 172.6
[M+K]+ 319.88510 159.4
[M+H-H2O]+ 263.91920 150.3
[M+HCOO]- 325.92014 158.9
[M+CH3COO]- 339.93579 185.5
[M+Na-2H]- 301.89661 157.0
[M]+ 280.92139 158.2
[M]- 280.92249 158.2
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.