CID 78906

2-((p-aminophenyl)sulphonyl)ethanol

Structural Information

Molecular Formula
C8H11NO3S
SMILES
C1=CC(=CC=C1N)S(=O)(=O)CCO
InChI
InChI=1S/C8H11NO3S/c9-7-1-3-8(4-2-7)13(11,12)6-5-10/h1-4,10H,5-6,9H2
InChIKey
CSCNRHJJGXZFGX-UHFFFAOYSA-N
Compound name
2-(4-aminophenyl)sulfonylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

217
Patents

201.04596 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.05324 140.1
[M+Na]+ 224.03518 148.3
[M-H]- 200.03868 142.3
[M+NH4]+ 219.07978 158.6
[M+K]+ 240.00912 144.7
[M+H-H2O]+ 184.04322 134.6
[M+HCOO]- 246.04416 157.9
[M+CH3COO]- 260.05981 179.8
[M+Na-2H]- 222.02063 144.5
[M]+ 201.04541 140.8
[M]- 201.04651 140.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe