CID 177784369

Poly(1-(4-(3-carboxy-4-hydroxyphenylazo&

Structural Information

Molecular Formula
C15H14N2O5S
SMILES
C=CNS(=O)(=O)C1=CC=C(C=C1)N=C2CC=C(C(=C2)C(=O)O)O
InChI
InChI=1S/C15H14N2O5S/c1-2-16-23(21,22)12-6-3-10(4-7-12)17-11-5-8-14(18)13(9-11)15(19)20/h2-4,6-9,16,18H,1,5H2,(H,19,20)
InChIKey
QYBYQDFJHXVWQR-UHFFFAOYSA-N
Compound name
3-[4-(ethenylsulfamoyl)phenyl]imino-6-hydroxycyclohexa-1,5-diene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.06235 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.06963 172.6
[M+Na]+ 357.05157 178.8
[M-H]- 333.05507 177.9
[M+NH4]+ 352.09617 184.9
[M+K]+ 373.02551 173.9
[M+H-H2O]+ 317.05961 165.0
[M+HCOO]- 379.06055 189.6
[M+CH3COO]- 393.07620 207.9
[M+Na-2H]- 355.03702 175.4
[M]+ 334.06180 173.0
[M]- 334.06290 173.0
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.