CID 3624467

27052-28-4

Structural Information

Molecular Formula
C23H15ClO5S
SMILES
C1=CC=C(C=C1)OC(=O)C2=C(C3=CC=CC=C3C(=C2)S(=O)(=O)C4=CC=C(C=C4)Cl)O
InChI
InChI=1S/C23H15ClO5S/c24-15-10-12-17(13-11-15)30(27,28)21-14-20(22(25)19-9-5-4-8-18(19)21)23(26)29-16-6-2-1-3-7-16/h1-14,25H
InChIKey
NHDAZUXSEJSRFH-UHFFFAOYSA-N
Compound name
phenyl 4-(4-chlorophenyl)sulfonyl-1-hydroxynaphthalene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.03287 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.04015 198.5
[M+Na]+ 461.02209 207.7
[M-H]- 437.02559 208.3
[M+NH4]+ 456.06669 209.1
[M+K]+ 476.99603 201.2
[M+H-H2O]+ 421.03013 190.4
[M+HCOO]- 483.03107 208.8
[M+CH3COO]- 497.04672 208.2
[M+Na-2H]- 459.00754 202.1
[M]+ 438.03232 205.0
[M]- 438.03342 205.0
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

patents stripe