CID 59489247

1115639-86-5

Structural Information

Molecular Formula
C30H18S
SMILES
C1=CC=C2C(=C1)C3=C(C=C(C=C3)C4=CC=CC5=C4SC6=CC=CC=C56)C7=CC=CC=C27
InChI
InChI=1S/C30H18S/c1-2-10-23-21(8-1)22-9-3-4-11-24(22)28-18-19(16-17-25(23)28)20-13-7-14-27-26-12-5-6-15-29(26)31-30(20)27/h1-18H
InChIKey
MYJVMIDCDITECL-UHFFFAOYSA-N
Compound name
4-triphenylen-2-yldibenzothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1269
Patents

410.1129 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.12018 197.3
[M+Na]+ 433.10212 210.7
[M-H]- 409.10562 209.3
[M+NH4]+ 428.14672 214.8
[M+K]+ 449.07606 200.7
[M+H-H2O]+ 393.11016 187.9
[M+HCOO]- 455.11110 214.3
[M+CH3COO]- 469.12675 208.5
[M+Na-2H]- 431.08757 204.5
[M]+ 410.11235 203.8
[M]- 410.11345 203.8
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