CID 6435789

(z)-2-butenedioic acid mono(2-((4-carboxyphenyl)sulfonyl)hydrazide)

Structural Information

Molecular Formula
C11H10N2O7S
SMILES
C1=CC(=CC=C1C(=O)O)S(=O)(=O)NNC(=O)/C=C\C(=O)O
InChI
InChI=1S/C11H10N2O7S/c14-9(5-6-10(15)16)12-13-21(19,20)8-3-1-7(2-4-8)11(17)18/h1-6,13H,(H,12,14)(H,15,16)(H,17,18)/b6-5-
InChIKey
OOZNFIBGNQDRQP-WAYWQWQTSA-N
Compound name
4-[[[(Z)-3-carboxyprop-2-enoyl]amino]sulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.02087 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.02815 164.0
[M+Na]+ 337.01009 168.5
[M-H]- 313.01359 164.4
[M+NH4]+ 332.05469 175.8
[M+K]+ 352.98403 165.6
[M+H-H2O]+ 297.01813 157.1
[M+HCOO]- 359.01907 179.2
[M+CH3COO]- 373.03472 199.7
[M+Na-2H]- 334.99554 166.0
[M]+ 314.02032 164.8
[M]- 314.02142 164.8
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.