CID 11970792

Trisodium naphthalene-1,3,7-trisulphonate

Structural Information

Molecular Formula
C10H8O9S3
SMILES
C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C10H8O9S3/c11-20(12,13)7-2-1-6-3-8(21(14,15)16)5-10(9(6)4-7)22(17,18)19/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19)
InChIKey
FEWNRIKJXAQRJJ-UHFFFAOYSA-N
Compound name
naphthalene-1,3,7-trisulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

273
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 176.3
[M+Na]+ 390.92226 183.4
[M-H]- 366.92576 174.9
[M+NH4]+ 385.96686 186.5
[M+K]+ 406.89620 177.0
[M+H-H2O]+ 350.93030 171.3
[M+HCOO]- 412.93124 177.4
[M+CH3COO]- 426.94689 198.9
[M+Na-2H]- 388.90771 185.1
[M]+ 367.93249 179.8
[M]- 367.93359 179.8
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