CID 384837

Nsc675355

Structural Information

Molecular Formula
C11H15ClN2O4S2
SMILES
CS(=O)(=O)NC1=CC2=C(C=C1)C(CN2S(=O)(=O)C)CCl
InChI
InChI=1S/C11H15ClN2O4S2/c1-19(15,16)13-9-3-4-10-8(6-12)7-14(11(10)5-9)20(2,17)18/h3-5,8,13H,6-7H2,1-2H3
InChIKey
PVJOSQQNCACPKU-UHFFFAOYSA-N
Compound name
N-[3-(chloromethyl)-1-methylsulfonyl-2,3-dihydroindol-6-yl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.01617 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.02345 174.3
[M+Na]+ 361.00539 184.3
[M-H]- 337.00889 177.9
[M+NH4]+ 356.04999 191.0
[M+K]+ 376.97933 178.7
[M+H-H2O]+ 321.01343 170.4
[M+HCOO]- 383.01437 180.2
[M+CH3COO]- 397.03002 204.0
[M+Na-2H]- 358.99084 177.3
[M]+ 338.01562 180.8
[M]- 338.01672 180.8
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.