CID 164572

Phenanthro[9,10-b]thiophene

Structural Information

Molecular Formula
C16H10S
SMILES
C1=CC=C2C(=C1)C3=C(C4=CC=CC=C24)SC=C3
InChI
InChI=1S/C16H10S/c1-2-7-13-11(5-1)12-6-3-4-8-14(12)16-15(13)9-10-17-16/h1-10H
InChIKey
OGOOBRWCZLKZSV-UHFFFAOYSA-N
Compound name
phenanthro[9,10-b]thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

195
Patents

234.05032 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.057596 146.8
[M+Na]+ 257.039538 160.3
[M-H]- 233.043044 154.8
[M+NH4]+ 252.084143 170.9
[M+K]+ 273.013478 153.8
[M+H-H2O]+ 217.047580 141.6
[M+HCOO]- 279.048521 167.5
[M+CH3COO]- 293.064171 161.9
[M+Na-2H]- 255.024986 155.6
[M]+ 234.04977142 152.7
[M]- 234.05086858 152.7
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