CID 6910103

(4-(2-(phenylsulfonyl)carbohydrazonoyl)phenoxy)acetic acid

Structural Information

Molecular Formula
C15H14N2O5S
SMILES
C1=CC=C(C=C1)S(=O)(=O)N/N=C/C2=CC=C(C=C2)OCC(=O)O
InChI
InChI=1S/C15H14N2O5S/c18-15(19)11-22-13-8-6-12(7-9-13)10-16-17-23(20,21)14-4-2-1-3-5-14/h1-10,17H,11H2,(H,18,19)/b16-10+
InChIKey
KCBAQQOOIWPYMN-MHWRWJLKSA-N
Compound name
2-[4-[(E)-(benzenesulfonylhydrazinylidene)methyl]phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.06235 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.06963 173.1
[M+Na]+ 357.05157 182.9
[M+NH4]+ 352.09617 178.3
[M+K]+ 373.02551 176.3
[M-H]- 333.05507 175.3
[M+Na-2H]- 355.03702 180.1
[M]+ 334.06180 175.2
[M]- 334.06290 175.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.