CID 389321

Nsc685230

Structural Information

Molecular Formula
C10H13ClN2O3S
SMILES
CS(=O)(=O)N1CC(C2=C1C=C(C=C2)NO)CCl
InChI
InChI=1S/C10H13ClN2O3S/c1-17(15,16)13-6-7(5-11)9-3-2-8(12-14)4-10(9)13/h2-4,7,12,14H,5-6H2,1H3
InChIKey
JTLYVUXXQOYWRR-UHFFFAOYSA-N
Compound name
N-[3-(chloromethyl)-1-methylsulfonyl-2,3-dihydroindol-6-yl]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.03354 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.04082 158.1
[M+Na]+ 299.02276 168.2
[M-H]- 275.02626 160.7
[M+NH4]+ 294.06736 176.8
[M+K]+ 314.99670 163.1
[M+H-H2O]+ 259.03080 153.8
[M+HCOO]- 321.03174 169.3
[M+CH3COO]- 335.04739 193.1
[M+Na-2H]- 297.00821 161.2
[M]+ 276.03299 162.3
[M]- 276.03409 162.3
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.