CID 174341

83846-85-9

Structural Information

Molecular Formula
C20H16OS
SMILES
CC1=CC=C(C=C1)SC2=CC=C(C=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H16OS/c1-15-7-11-18(12-8-15)22-19-13-9-17(10-14-19)20(21)16-5-3-2-4-6-16/h2-14H,1H3
InChIKey
DBHQYYNDKZDVTN-UHFFFAOYSA-N
Compound name
[4-(4-methylphenyl)sulfanylphenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

23895
Patents

304.0922 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.09948 170.2
[M+Na]+ 327.08142 177.9
[M-H]- 303.08492 180.0
[M+NH4]+ 322.12602 185.3
[M+K]+ 343.05536 171.5
[M+H-H2O]+ 287.08946 161.7
[M+HCOO]- 349.09040 188.3
[M+CH3COO]- 363.10605 181.8
[M+Na-2H]- 325.06687 172.2
[M]+ 304.09165 171.8
[M]- 304.09275 171.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe