CID 80810

6399-72-0

Structural Information

Molecular Formula
C10H9NO4S
SMILES
C1=CC(=CC2=CC(=C(C=C21)N)O)S(=O)(=O)O
InChI
InChI=1S/C10H9NO4S/c11-9-4-6-1-2-8(16(13,14)15)3-7(6)5-10(9)12/h1-5,12H,11H2,(H,13,14,15)
InChIKey
MVGYYGCFVPMJAQ-UHFFFAOYSA-N
Compound name
6-amino-7-hydroxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

434
Patents

239.02522 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.03250 146.4
[M+Na]+ 262.01444 156.1
[M-H]- 238.01794 148.6
[M+NH4]+ 257.05904 163.9
[M+K]+ 277.98838 151.6
[M+H-H2O]+ 222.02248 141.3
[M+HCOO]- 284.02342 162.1
[M+CH3COO]- 298.03907 185.9
[M+Na-2H]- 259.99989 152.2
[M]+ 239.02467 147.4
[M]- 239.02577 147.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe