CID 15453270

62605-69-0

Structural Information

Molecular Formula
C11H10ClNO4S
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CCCS(=O)(=O)Cl
InChI
InChI=1S/C11H10ClNO4S/c12-18(16,17)7-3-6-13-10(14)8-4-1-2-5-9(8)11(13)15/h1-2,4-5H,3,6-7H2
InChIKey
RDXUBBUYWZAROQ-UHFFFAOYSA-N
Compound name
3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

287.0019 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.00918 160.2
[M+Na]+ 309.99112 171.7
[M-H]- 285.99462 164.4
[M+NH4]+ 305.03572 179.3
[M+K]+ 325.96506 166.7
[M+H-H2O]+ 269.99916 155.9
[M+HCOO]- 332.00010 172.3
[M+CH3COO]- 346.01575 194.0
[M+Na-2H]- 307.97657 162.8
[M]+ 287.00135 167.4
[M]- 287.00245 167.4
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