CID 264429

2-benzo(a)anthracen-7-yl-1-benzothiophene

Structural Information

Molecular Formula
C26H16S
SMILES
C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4C=C32)C5=CC6=CC=CC=C6S5
InChI
InChI=1S/C26H16S/c1-4-10-20-17(7-1)13-14-22-23(20)15-18-8-2-5-11-21(18)26(22)25-16-19-9-3-6-12-24(19)27-25/h1-16H
InChIKey
PUKTVQWSIXMMPH-UHFFFAOYSA-N
Compound name
2-benzo[a]anthracen-7-yl-1-benzothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.09726 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.10454 183.7
[M+Na]+ 383.08648 196.5
[M-H]- 359.08998 195.0
[M+NH4]+ 378.13108 202.7
[M+K]+ 399.06042 187.3
[M+H-H2O]+ 343.09452 175.6
[M+HCOO]- 405.09546 201.6
[M+CH3COO]- 419.11111 195.9
[M+Na-2H]- 381.07193 190.4
[M]+ 360.09671 189.1
[M]- 360.09781 189.1
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

No patent data available for this compound.