CID 217868

Brn 0796139

Structural Information

Molecular Formula
C10H10ClNO3S
SMILES
C1=CC=C2C(=C1)C(=C(S2(=O)=O)Cl)NCCO
InChI
InChI=1S/C10H10ClNO3S/c11-10-9(12-5-6-13)7-3-1-2-4-8(7)16(10,14)15/h1-4,12-13H,5-6H2
InChIKey
ZWPBBNYLOBXNLX-UHFFFAOYSA-N
Compound name
2-[(2-chloro-1,1-dioxo-1-benzothiophen-3-yl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.007 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.01428 151.2
[M+Na]+ 281.99622 163.0
[M+NH4]+ 277.04082 161.0
[M+K]+ 297.97016 154.5
[M-H]- 257.99972 152.7
[M+Na-2H]- 279.98167 157.1
[M]+ 259.00645 154.0
[M]- 259.00755 154.0
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.