CID 47002803

1235440-98-8

Structural Information

Molecular Formula
C7H5ClN2O4S2
SMILES
C1=CC2=C(C=C1S(=O)(=O)Cl)S(=O)(=O)N=CN2
InChI
InChI=1S/C7H5ClN2O4S2/c8-15(11,12)5-1-2-6-7(3-5)16(13,14)10-4-9-6/h1-4H,(H,9,10)
InChIKey
ZIJHAVLCGMKZBY-UHFFFAOYSA-N
Compound name
1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-7-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.93793 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.94521 149.6
[M+Na]+ 302.92715 161.5
[M-H]- 278.93065 150.7
[M+NH4]+ 297.97175 166.7
[M+K]+ 318.90109 155.4
[M+H-H2O]+ 262.93519 145.8
[M+HCOO]- 324.93613 154.0
[M+CH3COO]- 338.95178 185.9
[M+Na-2H]- 300.91260 157.0
[M]+ 279.93738 153.8
[M]- 279.93848 153.8
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