CID 452428

3,4-diamino-1-naphthalenesulfonic acid

Structural Information

Molecular Formula
C10H10N2O3S
SMILES
C1=CC=C2C(=C1)C(=CC(=C2N)N)S(=O)(=O)O
InChI
InChI=1S/C10H10N2O3S/c11-8-5-9(16(13,14)15)6-3-1-2-4-7(6)10(8)12/h1-5H,11-12H2,(H,13,14,15)
InChIKey
VZYOWBULYLPMGR-UHFFFAOYSA-N
Compound name
3,4-diaminonaphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

167
Patents

238.04121 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.048486 146.8
[M+Na]+ 261.030428 156.3
[M-H]- 237.033934 149.8
[M+NH4]+ 256.075033 164.6
[M+K]+ 277.004368 151.6
[M+H-H2O]+ 221.038470 141.3
[M+HCOO]- 283.039411 164.2
[M+CH3COO]- 297.055061 190.7
[M+Na-2H]- 259.015876 152.4
[M]+ 238.04066142 146.5
[M]- 238.04175858 146.5
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