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]+ 277.040816 158.1
[M+Na]+ 299.022758 168.2
[M-H]- 275.026264 160.7
[M+NH4]+ 294.067363 176.8
[M+K]+ 314.996698 163.1
[M+H-H2O]+ 259.030800 153.8
[M+HCOO]- 321.031741 169.3
[M+CH3COO]- 335.047391 193.1
[M+Na-2H]- 297.008206 161.2
[M]+ 276.03299142 162.3
[M]- 276.03408858 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.