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]+ 252.06889 152.1
[M+Na]+ 274.05083 160.9
[M-H]- 250.05433 155.2
[M+NH4]+ 269.09543 169.8
[M+K]+ 290.02477 156.1
[M+H-H2O]+ 234.05887 146.5
[M+HCOO]- 296.05981 168.6
[M+CH3COO]- 310.07546 190.7
[M+Na-2H]- 272.03628 157.8
[M]+ 251.06106 153.8
[M]- 251.06216 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