CID 3015207

Naphthalenedisulfonic acid

Structural Information

Molecular Formula
C10H8O6S2
SMILES
C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C10H8O6S2/c11-17(12,13)9-6-5-7-3-1-2-4-8(7)10(9)18(14,15)16/h1-6H,(H,11,12,13)(H,14,15,16)
InChIKey
YZMHQCWXYHARLS-UHFFFAOYSA-N
Compound name
naphthalene-1,2-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

19
References

41771
Patents

287.97623 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.983506 157.6
[M+Na]+ 310.965448 166.8
[M-H]- 286.968954 159.4
[M+NH4]+ 306.010053 173.0
[M+K]+ 326.939388 161.8
[M+H-H2O]+ 270.973490 152.7
[M+HCOO]- 332.974431 166.7
[M+CH3COO]- 346.990081 188.2
[M+Na-2H]- 308.950896 164.5
[M]+ 287.97568142 161.5
[M]- 287.97677858 161.5
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