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
1
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]+ 218.04816 143.1
[M+Na]+ 240.03010 151.4
[M-H]- 216.03360 144.1
[M+NH4]+ 235.07470 160.3
[M+K]+ 256.00404 147.5
[M+H-H2O]+ 200.03814 137.8
[M+HCOO]- 262.03908 159.5
[M+CH3COO]- 276.05473 180.8
[M+Na-2H]- 238.01555 146.6
[M]+ 217.04033 143.7
[M]- 217.04143 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