CID 66566

85-74-5

Structural Information

Molecular Formula
C10H9NO6S2
SMILES
C1=CC2=C(C=CC(=C2C=C1S(=O)(=O)O)S(=O)(=O)O)N
InChI
InChI=1S/C10H9NO6S2/c11-9-3-4-10(19(15,16)17)8-5-6(18(12,13)14)1-2-7(8)9/h1-5H,11H2,(H,12,13,14)(H,15,16,17)
InChIKey
JSBQMQFABBMNSV-UHFFFAOYSA-N
Compound name
4-aminonaphthalene-1,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

333
Patents

302.98712 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.99440 160.6
[M+Na]+ 325.97634 169.4
[M-H]- 301.97984 161.7
[M+NH4]+ 321.02094 174.8
[M+K]+ 341.95028 163.9
[M+H-H2O]+ 285.98438 155.4
[M+HCOO]- 347.98532 169.7
[M+CH3COO]- 362.00097 194.3
[M+Na-2H]- 323.96179 166.8
[M]+ 302.98657 163.0
[M]- 302.98767 163.0
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