CID 387910

Nsc682142

Structural Information

Molecular Formula
C10H11ClN2O4S
SMILES
CS(=O)(=O)N1CC(C2=C1C=C(C=C2)[N+](=O)[O-])CCl
InChI
InChI=1S/C10H11ClN2O4S/c1-18(16,17)12-6-7(5-11)9-3-2-8(13(14)15)4-10(9)12/h2-4,7H,5-6H2,1H3
InChIKey
KQFWWSNHFKWFQO-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-1-methylsulfonyl-6-nitro-2,3-dihydroindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.01282 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.02010 161.1
[M+Na]+ 313.00204 170.2
[M-H]- 289.00554 165.0
[M+NH4]+ 308.04664 178.9
[M+K]+ 328.97598 162.0
[M+H-H2O]+ 273.01008 161.2
[M+HCOO]- 335.01102 173.6
[M+CH3COO]- 349.02667 189.6
[M+Na-2H]- 310.98749 166.2
[M]+ 290.01227 164.4
[M]- 290.01337 164.4
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

No patent data available for this compound.