CID 3013127

4-(3-chlorophenyl)sulfanyl-3-(3,5-dimethylphenyl)sulfanyl-chromen-2-one

Structural Information

Molecular Formula
C23H17ClO2S2
SMILES
CC1=CC(=CC(=C1)SC2=C(C3=CC=CC=C3OC2=O)SC4=CC(=CC=C4)Cl)C
InChI
InChI=1S/C23H17ClO2S2/c1-14-10-15(2)12-18(11-14)28-22-21(27-17-7-5-6-16(24)13-17)19-8-3-4-9-20(19)26-23(22)25/h3-13H,1-2H3
InChIKey
ZTXHSWUSPDYGTO-UHFFFAOYSA-N
Compound name
4-(3-chlorophenyl)sulfanyl-3-(3,5-dimethylphenyl)sulfanylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

424.03586 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.04314 194.5
[M+Na]+ 447.02508 206.4
[M-H]- 423.02858 206.2
[M+NH4]+ 442.06968 206.6
[M+K]+ 462.99902 198.6
[M+H-H2O]+ 407.03312 187.0
[M+HCOO]- 469.03406 202.2
[M+CH3COO]- 483.04971 205.3
[M+Na-2H]- 445.01053 195.7
[M]+ 424.03531 203.0
[M]- 424.03641 203.0
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