CID 3046527

Brn 1382995

Structural Information

Molecular Formula
C11H12ClNO3S
SMILES
C1=CC=C2C(=C1)C(=C(S2(=O)=O)Cl)NCCCO
InChI
InChI=1S/C11H12ClNO3S/c12-11-10(13-6-3-7-14)8-4-1-2-5-9(8)17(11,15)16/h1-2,4-5,13-14H,3,6-7H2
InChIKey
PXHDGIVITJLGPE-UHFFFAOYSA-N
Compound name
3-[(2-chloro-1,1-dioxo-1-benzothiophen-3-yl)amino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.02264 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.02992 155.6
[M+Na]+ 296.01186 167.2
[M+NH4]+ 291.05646 165.2
[M+K]+ 311.98580 158.5
[M-H]- 272.01536 157.0
[M+Na-2H]- 293.99731 161.3
[M]+ 273.02209 158.4
[M]- 273.02319 158.4
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.