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]+ 245.962236 146.9
[M+Na]+ 267.944178 159.2
[M-H]- 243.947684 150.1
[M+NH4]+ 262.988783 166.9
[M+K]+ 283.918118 154.1
[M+H-H2O]+ 227.952220 143.5
[M+HCOO]- 289.953161 158.4
[M+CH3COO]- 303.968811 182.6
[M+Na-2H]- 265.929626 150.5
[M]+ 244.95441142 151.2
[M]- 244.95550858 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