CID 3056560

73806-11-8

Structural Information

Molecular Formula
C14H12ClNO5S
SMILES
C1CC2C3C(C1O2)C(=O)N(C3=O)S(=O)(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C14H12ClNO5S/c15-7-1-3-8(4-2-7)22(19,20)16-13(17)11-9-5-6-10(21-9)12(11)14(16)18/h1-4,9-12H,5-6H2
InChIKey
GLCUEJOPONMHFP-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)sulfonyl-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.01248 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.01976 178.4
[M+Na]+ 364.00170 190.1
[M-H]- 340.00520 186.5
[M+NH4]+ 359.04630 199.2
[M+K]+ 379.97564 187.1
[M+H-H2O]+ 324.00974 177.4
[M+HCOO]- 386.01068 187.5
[M+CH3COO]- 400.02633 190.9
[M+Na-2H]- 361.98715 177.6
[M]+ 341.01193 186.0
[M]- 341.01303 186.0
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.