CID 117720

Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-hydrazino-

Structural Information

Molecular Formula
C14H16N4O6S2
SMILES
C1=CC(=C(C=C1NN)S(=O)(=O)O)C=CC2=C(C=C(C=C2)NN)S(=O)(=O)O
InChI
InChI=1S/C14H16N4O6S2/c15-17-11-5-3-9(13(7-11)25(19,20)21)1-2-10-4-6-12(18-16)8-14(10)26(22,23)24/h1-8,17-18H,15-16H2,(H,19,20,21)(H,22,23,24)
InChIKey
UFBOIWPLCDSNEG-UHFFFAOYSA-N
Compound name
5-hydrazinyl-2-[2-(4-hydrazinyl-2-sulfophenyl)ethenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

21
Patents

400.05112 Da
Monoisotopic Mass

-4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.05840 184.4
[M+Na]+ 423.04034 189.4
[M-H]- 399.04384 186.2
[M+NH4]+ 418.08494 191.9
[M+K]+ 439.01428 182.0
[M+H-H2O]+ 383.04838 176.1
[M+HCOO]- 445.04932 195.7
[M+CH3COO]- 459.06497 220.6
[M+Na-2H]- 421.02579 189.0
[M]+ 400.05057 182.5
[M]- 400.05167 182.5
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