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

65
Patents

238.04121 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.04849 146.8
[M+Na]+ 261.03043 156.3
[M-H]- 237.03393 149.8
[M+NH4]+ 256.07503 164.6
[M+K]+ 277.00437 151.6
[M+H-H2O]+ 221.03847 141.3
[M+HCOO]- 283.03941 164.2
[M+CH3COO]- 297.05506 190.7
[M+Na-2H]- 259.01588 152.4
[M]+ 238.04066 146.5
[M]- 238.04176 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