CID 15315536

1,3-dioxo-2,3-dihydro-1h-isoindole-5-sulfonyl chloride

Structural Information

Molecular Formula
C8H4ClNO4S
SMILES
C1=CC2=C(C=C1S(=O)(=O)Cl)C(=O)NC2=O
InChI
InChI=1S/C8H4ClNO4S/c9-15(13,14)4-1-2-5-6(3-4)8(12)10-7(5)11/h1-3H,(H,10,11,12)
InChIKey
SUEUJJPJLQOTBB-UHFFFAOYSA-N
Compound name
1,3-dioxoisoindole-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

244.95496 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.96224 146.9
[M+Na]+ 267.94418 159.2
[M-H]- 243.94768 150.1
[M+NH4]+ 262.98878 166.9
[M+K]+ 283.91812 154.1
[M+H-H2O]+ 227.95222 143.5
[M+HCOO]- 289.95316 158.4
[M+CH3COO]- 303.96881 182.6
[M+Na-2H]- 265.92963 150.5
[M]+ 244.95441 151.2
[M]- 244.95551 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

patents stripe