CID 124251760

3-(1,3-dioxo-2,3-dihydro-1h-isoindol-2-yl)-2,2-dimethylpropane-1-sulfonyl chloride

Structural Information

Molecular Formula
C13H14ClNO4S
SMILES
CC(C)(CN1C(=O)C2=CC=CC=C2C1=O)CS(=O)(=O)Cl
InChI
InChI=1S/C13H14ClNO4S/c1-13(2,8-20(14,18)19)7-15-11(16)9-5-3-4-6-10(9)12(15)17/h3-6H,7-8H2,1-2H3
InChIKey
KONCLKJNCZWBPW-UHFFFAOYSA-N
Compound name
3-(1,3-dioxoisoindol-2-yl)-2,2-dimethylpropane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.0332 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.04048 170.3
[M+Na]+ 338.02242 181.0
[M-H]- 314.02592 174.3
[M+NH4]+ 333.06702 188.2
[M+K]+ 353.99636 176.2
[M+H-H2O]+ 298.03046 166.2
[M+HCOO]- 360.03140 180.1
[M+CH3COO]- 374.04705 200.4
[M+Na-2H]- 336.00787 173.1
[M]+ 315.03265 177.6
[M]- 315.03375 177.6
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.