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]+ 335.069626 172.9
[M+Na]+ 357.051568 178.7
[M-H]- 333.055074 179.3
[M+NH4]+ 352.096173 185.6
[M+K]+ 373.025508 174.9
[M+H-H2O]+ 317.059610 164.4
[M+HCOO]- 379.060551 192.9
[M+CH3COO]- 393.076201 207.9
[M+Na-2H]- 355.037016 178.2
[M]+ 334.06180142 176.3
[M]- 334.06289858 176.3
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.