CID 87174

Einecs 241-576-5

Structural Information

Molecular Formula
C8H11NO4S
SMILES
C1=CC(=C(C=C1S(=O)(=O)CCO)N)O
InChI
InChI=1S/C8H11NO4S/c9-7-5-6(1-2-8(7)11)14(12,13)4-3-10/h1-2,5,10-11H,3-4,9H2
InChIKey
SNUWQQFUPOZCIQ-UHFFFAOYSA-N
Compound name
2-amino-4-(2-hydroxyethylsulfonyl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

57
Patents

217.04088 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.048156 143.1
[M+Na]+ 240.030098 151.4
[M-H]- 216.033604 144.1
[M+NH4]+ 235.074703 160.3
[M+K]+ 256.004038 147.5
[M+H-H2O]+ 200.038140 137.8
[M+HCOO]- 262.039081 159.5
[M+CH3COO]- 276.054731 180.8
[M+Na-2H]- 238.015546 146.6
[M]+ 217.04033142 143.7
[M]- 217.04142858 143.7
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