CID 5068340

27052-27-3

Structural Information

Molecular Formula
C23H15ClO3S
SMILES
C1=CC=C(C=C1)OC(=O)C2=C(C3=CC=CC=C3C(=C2)SC4=CC=C(C=C4)Cl)O
InChI
InChI=1S/C23H15ClO3S/c24-15-10-12-17(13-11-15)28-21-14-20(22(25)19-9-5-4-8-18(19)21)23(26)27-16-6-2-1-3-7-16/h1-14,25H
InChIKey
WHUYXGYBBDXGJC-UHFFFAOYSA-N
Compound name
phenyl 4-(4-chlorophenyl)sulfanyl-1-hydroxynaphthalene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.04303 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.05031 191.8
[M+Na]+ 429.03225 200.9
[M-H]- 405.03575 201.3
[M+NH4]+ 424.07685 204.1
[M+K]+ 445.00619 193.2
[M+H-H2O]+ 389.04029 183.7
[M+HCOO]- 451.04123 203.1
[M+CH3COO]- 465.05688 201.9
[M+Na-2H]- 427.01770 194.0
[M]+ 406.04248 197.4
[M]- 406.04358 197.4
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