CID 3017712

66761-03-3

Structural Information

Molecular Formula
C12H11NO5S
SMILES
CC(=O)NC1=CC2=C(C=C(C=C2C=C1)O)S(=O)(=O)O
InChI
InChI=1S/C12H11NO5S/c1-7(14)13-9-3-2-8-4-10(15)6-12(11(8)5-9)19(16,17)18/h2-6,15H,1H3,(H,13,14)(H,16,17,18)
InChIKey
FQVOHUNTVPFJNU-UHFFFAOYSA-N
Compound name
7-acetamido-3-hydroxynaphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

281.0358 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.043076 156.8
[M+Na]+ 304.025018 165.3
[M-H]- 280.028524 159.2
[M+NH4]+ 299.069623 172.7
[M+K]+ 319.998958 161.5
[M+H-H2O]+ 264.033060 151.3
[M+HCOO]- 326.034001 171.9
[M+CH3COO]- 340.049651 194.2
[M+Na-2H]- 302.010466 161.9
[M]+ 281.03525142 159.5
[M]- 281.03634858 159.5
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