CID 9578885

Benzaldehyde 4-sulfophenyl-hydrazone (na)

Structural Information

Molecular Formula
C13H12N2O3S
SMILES
C1=CC=C(C=C1)/C=N/NC2=CC=C(C=C2)S(=O)(=O)O
InChI
InChI=1S/C13H12N2O3S/c16-19(17,18)13-8-6-12(7-9-13)15-14-10-11-4-2-1-3-5-11/h1-10,15H,(H,16,17,18)/b14-10+
InChIKey
IBBXPWKHQZNFQH-GXDHUFHOSA-N
Compound name
4-[(2E)-2-benzylidenehydrazinyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.05685 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.06413 158.9
[M+Na]+ 299.04607 166.2
[M-H]- 275.04957 165.7
[M+NH4]+ 294.09067 174.4
[M+K]+ 315.02001 161.5
[M+H-H2O]+ 259.05411 151.2
[M+HCOO]- 321.05505 180.0
[M+CH3COO]- 335.07070 197.4
[M+Na-2H]- 297.03152 165.7
[M]+ 276.05630 160.2
[M]- 276.05740 160.2
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.