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 150.4
[M+Na]+ 281.01220 161.9
[M-H]- 257.01570 155.5
[M+NH4]+ 276.05680 173.3
[M+K]+ 296.98614 156.0
[M+H-H2O]+ 241.02024 146.7
[M+HCOO]- 303.02118 167.5
[M+CH3COO]- 317.03683 194.0
[M+Na-2H]- 278.99765 155.0
[M]+ 258.02243 155.2
[M]- 258.02353 155.2
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.