CID 11857387

591773-92-1

Structural Information

Molecular Formula
C28H23OS
SMILES
CC(C)C1=CC2=C(C=C1)[S+](C3=CC=CC=C3C2=O)C4=CC=C(C=C4)C5=CC=CC=C5
InChI
InChI=1S/C28H23OS/c1-19(2)22-14-17-27-25(18-22)28(29)24-10-6-7-11-26(24)30(27)23-15-12-21(13-16-23)20-8-4-3-5-9-20/h3-19H,1-2H3/q+1
InChIKey
QTMMGKBFRXYZLK-UHFFFAOYSA-N
Compound name
10-(4-phenylphenyl)-2-propan-2-ylthioxanthen-10-ium-9-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

27
Patents

407.14697 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.15425 203.3
[M+Na]+ 430.13619 212.3
[M-H]- 406.13969 214.9
[M+NH4]+ 425.18079 215.7
[M+K]+ 446.11013 198.6
[M+H-H2O]+ 390.14423 195.3
[M+HCOO]- 452.14517 218.4
[M+CH3COO]- 466.16082 212.8
[M+Na-2H]- 428.12164 207.8
[M]+ 407.14642 205.7
[M]- 407.14752 205.7
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