CID 81165

Naphthalene-1,3,5-trisulfonic acid

Structural Information

Molecular Formula
C10H8O9S3
SMILES
C1=CC2=C(C=C(C=C2S(=O)(=O)O)S(=O)(=O)O)C(=C1)S(=O)(=O)O
InChI
InChI=1S/C10H8O9S3/c11-20(12,13)6-4-8-7(10(5-6)22(17,18)19)2-1-3-9(8)21(14,15)16/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19)
InChIKey
INMHJULHWVWVFN-UHFFFAOYSA-N
Compound name
naphthalene-1,3,5-trisulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

662
Patents

367.93304 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.94032 178.4
[M+Na]+ 390.92226 185.3
[M+NH4]+ 385.96686 181.4
[M+K]+ 406.89620 180.0
[M-H]- 366.92576 174.0
[M+Na-2H]- 388.90771 179.1
[M]+ 367.93249 179.1
[M]- 367.93359 179.1
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