CID 38338

Brn 1381051

Structural Information

Molecular Formula
C10H11ClN2O2S
SMILES
C1=CC=C2C(=C1)C(=C(S2(=O)=O)Cl)NCCN
InChI
InChI=1S/C10H11ClN2O2S/c11-10-9(13-6-5-12)7-3-1-2-4-8(7)16(10,14)15/h1-4,13H,5-6,12H2
InChIKey
OSUYVHRYRXDZMO-UHFFFAOYSA-N
Compound name
N'-(2-chloro-1,1-dioxo-1-benzothiophen-3-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.02298 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.03026 151.4
[M+Na]+ 281.01220 162.7
[M+NH4]+ 276.05680 161.4
[M+K]+ 296.98614 154.0
[M-H]- 257.01570 153.9
[M+Na-2H]- 278.99765 157.7
[M]+ 258.02243 154.4
[M]- 258.02353 154.4
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.