CID 6057278

4,4'-diazido-2,2'-stilbenedisulfonic acid disodium salt tetrahydrate

Structural Information

Molecular Formula
C14H10N6O6S2
SMILES
C1=CC(=C(C=C1N=[N+]=[N-])S(=O)(=O)O)/C=C/C2=C(C=C(C=C2)N=[N+]=[N-])S(=O)(=O)O
InChI
InChI=1S/C14H10N6O6S2/c15-19-17-11-5-3-9(13(7-11)27(21,22)23)1-2-10-4-6-12(18-20-16)8-14(10)28(24,25)26/h1-8H,(H,21,22,23)(H,24,25,26)/b2-1+
InChIKey
XHPWRTXYJFNZAW-OWOJBTEDSA-N
Compound name
5-azido-2-[(E)-2-(4-azido-2-sulfophenyl)ethenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

219
Patents

422.0103 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.017576 189.6
[M+Na]+ 444.999518 193.0
[M-H]- 421.003024 197.0
[M+NH4]+ 440.044123 196.7
[M+K]+ 460.973458 176.5
[M+H-H2O]+ 405.007560 187.3
[M+HCOO]- 467.008501 209.3
[M+CH3COO]- 481.024151 216.5
[M+Na-2H]- 442.984966 203.2
[M]+ 422.00975142 184.4
[M]- 422.01084858 184.4
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