CID 66545

5,6-diaminonaphthalene-1-sulfonic acid

Structural Information

Molecular Formula
C10H10N2O3S
SMILES
C1=CC2=C(C=CC(=C2N)N)C(=C1)S(=O)(=O)O
InChI
InChI=1S/C10H10N2O3S/c11-8-5-4-6-7(10(8)12)2-1-3-9(6)16(13,14)15/h1-5H,11-12H2,(H,13,14,15)
InChIKey
AWXNJVXWJMGHMQ-UHFFFAOYSA-N
Compound name
5,6-diaminonaphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

64
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

No literature data available for this compound.

Patent stripe

patents stripe