CID 105679

27310-25-4

Structural Information

Molecular Formula
C10H9NO9S3
SMILES
C1=C(C=C(C2=C1C(=CC(=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)N
InChI
InChI=1S/C10H9NO9S3/c11-5-1-7-8(9(2-5)22(15,16)17)3-6(21(12,13)14)4-10(7)23(18,19)20/h1-4H,11H2,(H,12,13,14)(H,15,16,17)(H,18,19,20)
InChIKey
HKTWHHAJDJCUPC-UHFFFAOYSA-N
Compound name
7-aminonaphthalene-1,3,5-trisulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

951
Patents

382.94394 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.95122 181.1
[M+Na]+ 405.93316 186.7
[M+NH4]+ 400.97776 183.4
[M+K]+ 421.90710 182.4
[M-H]- 381.93666 176.7
[M+Na-2H]- 403.91861 181.1
[M]+ 382.94339 181.5
[M]- 382.94449 181.5
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