CID 35463

Phenanthro[4,5-bcd]thiophene

Structural Information

Molecular Formula
C14H8S
SMILES
C1=CC2=C3C(=C1)SC4=CC=CC(=C43)C=C2
InChI
InChI=1S/C14H8S/c1-3-9-7-8-10-4-2-6-12-14(10)13(9)11(5-1)15-12/h1-8H
InChIKey
VFUBXBLVICASPS-UHFFFAOYSA-N
Compound name
15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

208.03467 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.04195 139.9
[M+Na]+ 231.02389 152.9
[M-H]- 207.02739 146.6
[M+NH4]+ 226.06849 165.6
[M+K]+ 246.99783 147.5
[M+H-H2O]+ 191.03193 135.1
[M+HCOO]- 253.03287 160.0
[M+CH3COO]- 267.04852 155.3
[M+Na-2H]- 229.00934 149.6
[M]+ 208.03412 147.5
[M]- 208.03522 147.5
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