CID 106280

67969-96-4

Structural Information

Molecular Formula
C14H10N3O8S2
SMILES
C1=CC(=C(C=C1[N+]#N)S(=O)(=O)O)C=CC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O
InChI
InChI=1S/C14H9N3O8S2/c15-16-11-5-3-9(13(7-11)26(20,21)22)1-2-10-4-6-12(17(18)19)8-14(10)27(23,24)25/h1-8H,(H-,20,21,22,23,24,25)/p+1
InChIKey
IHIMTRUXYKPCQF-UHFFFAOYSA-O
Compound name
4-[2-(4-nitro-2-sulfophenyl)ethenyl]-3-sulfobenzenediazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.99094 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.99822 174.0
[M+Na]+ 434.98016 184.3
[M+NH4]+ 430.02476 175.2
[M+K]+ 450.95410 179.3
[M-H]- 410.98366 169.4
[M+Na-2H]- 432.96561 177.2
[M]+ 411.99039 174.0
[M]- 411.99149 174.0
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

No patent data available for this compound.