CID 458355

35105-75-0

Structural Information

Molecular Formula
C16H12O2S
SMILES
CC(=O)C1=CC2=C(C=C1)SC3=C2C=C(C=C3)C(=O)C
InChI
InChI=1S/C16H12O2S/c1-9(17)11-3-5-15-13(7-11)14-8-12(10(2)18)4-6-16(14)19-15/h3-8H,1-2H3
InChIKey
VBPBWRXUZDIQHT-UHFFFAOYSA-N
Compound name
1-(8-acetyldibenzothiophen-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

268.0558 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.06308 158.9
[M+Na]+ 291.04502 169.9
[M-H]- 267.04852 165.6
[M+NH4]+ 286.08962 180.4
[M+K]+ 307.01896 165.3
[M+H-H2O]+ 251.05306 153.8
[M+HCOO]- 313.05400 176.7
[M+CH3COO]- 327.06965 172.5
[M+Na-2H]- 289.03047 161.1
[M]+ 268.05525 165.1
[M]- 268.05635 165.1
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.