CID 117802

2-((4-hydrazinylphenyl)sulfonyl)ethanol

Structural Information

Molecular Formula
C8H12N2O3S
SMILES
C1=CC(=CC=C1NN)S(=O)(=O)CCO
InChI
InChI=1S/C8H12N2O3S/c9-10-7-1-3-8(4-2-7)14(12,13)6-5-11/h1-4,10-11H,5-6,9H2
InChIKey
IQIBZZZBPKFTAE-UHFFFAOYSA-N
Compound name
2-(4-hydrazinylphenyl)sulfonylethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

216.05687 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.06415 143.3
[M+Na]+ 239.04609 150.4
[M-H]- 215.04959 145.2
[M+NH4]+ 234.09069 160.6
[M+K]+ 255.02003 146.7
[M+H-H2O]+ 199.05413 137.1
[M+HCOO]- 261.05507 161.9
[M+CH3COO]- 275.07072 185.0
[M+Na-2H]- 237.03154 148.1
[M]+ 216.05632 143.1
[M]- 216.05742 143.1
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

patents stripe