CID 221482

3,4-diaminonaphthalene-2,7-disulfonic acid

Structural Information

Molecular Formula
C10H10N2O6S2
SMILES
C1=CC2=C(C(=C(C=C2C=C1S(=O)(=O)O)S(=O)(=O)O)N)N
InChI
InChI=1S/C10H10N2O6S2/c11-9-7-2-1-6(19(13,14)15)3-5(7)4-8(10(9)12)20(16,17)18/h1-4H,11-12H2,(H,13,14,15)(H,16,17,18)
InChIKey
VRJRYYZQHXJUEW-UHFFFAOYSA-N
Compound name
3,4-diaminonaphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

317.99802 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.00530 163.4
[M+Na]+ 340.98724 171.8
[M-H]- 316.99074 163.8
[M+NH4]+ 336.03184 176.4
[M+K]+ 356.96118 166.0
[M+H-H2O]+ 300.99528 157.9
[M+HCOO]- 362.99622 172.4
[M+CH3COO]- 377.01187 200.7
[M+Na-2H]- 338.97269 169.0
[M]+ 317.99747 164.4
[M]- 317.99857 164.4
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