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 172.9
[M+Na]+ 357.05157 178.7
[M-H]- 333.05507 179.3
[M+NH4]+ 352.09617 185.6
[M+K]+ 373.02551 174.9
[M+H-H2O]+ 317.05961 164.4
[M+HCOO]- 379.06055 192.9
[M+CH3COO]- 393.07620 207.9
[M+Na-2H]- 355.03702 178.2
[M]+ 334.06180 176.3
[M]- 334.06290 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.