CID 10676

Naphthalene-1,6-disulfonic acid

Structural Information

Molecular Formula
C10H8O6S2
SMILES
C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C(=C1)S(=O)(=O)O
InChI
InChI=1S/C10H8O6S2/c11-17(12,13)8-4-5-9-7(6-8)2-1-3-10(9)18(14,15)16/h1-6H,(H,11,12,13)(H,14,15,16)
InChIKey
HEWDOWUUTBCVJP-UHFFFAOYSA-N
Compound name
naphthalene-1,6-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

701
Patents

287.97623 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.98351 159.2
[M+Na]+ 310.96545 169.4
[M+NH4]+ 306.01005 165.1
[M+K]+ 326.93939 162.8
[M-H]- 286.96895 157.7
[M+Na-2H]- 308.95090 162.8
[M]+ 287.97568 161.0
[M]- 287.97678 161.0
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