CID 104125

Ethanol, 2-[(6-amino-2-naphthalenyl)sulfonyl]-

Structural Information

Molecular Formula
C12H13NO3S
SMILES
C1=CC2=C(C=CC(=C2)S(=O)(=O)CCO)C=C1N
InChI
InChI=1S/C12H13NO3S/c13-11-3-1-10-8-12(4-2-9(10)7-11)17(15,16)6-5-14/h1-4,7-8,14H,5-6,13H2
InChIKey
KJADNHVFXWOWKM-UHFFFAOYSA-N
Compound name
2-(6-aminonaphthalen-2-yl)sulfonylethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

32
Patents

251.06161 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.068886 152.1
[M+Na]+ 274.050828 160.9
[M-H]- 250.054334 155.2
[M+NH4]+ 269.095433 169.8
[M+K]+ 290.024768 156.1
[M+H-H2O]+ 234.058870 146.5
[M+HCOO]- 296.059811 168.6
[M+CH3COO]- 310.075461 190.7
[M+Na-2H]- 272.036276 157.8
[M]+ 251.06106142 153.8
[M]- 251.06215858 153.8
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