CID 850941

63675-74-1

Structural Information

Molecular Formula
C16H14O2S
SMILES
COC1=CC=C(C=C1)C2=CC3=C(S2)C=C(C=C3)OC
InChI
InChI=1S/C16H14O2S/c1-17-13-6-3-11(4-7-13)15-9-12-5-8-14(18-2)10-16(12)19-15/h3-10H,1-2H3
InChIKey
HRWAGCVMOGWQJF-UHFFFAOYSA-N
Compound name
6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

427
Patents

270.07144 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.07872 159.2
[M+Na]+ 293.06066 170.7
[M-H]- 269.06416 168.4
[M+NH4]+ 288.10526 179.8
[M+K]+ 309.03460 166.1
[M+H-H2O]+ 253.06870 153.0
[M+HCOO]- 315.06964 180.6
[M+CH3COO]- 329.08529 173.4
[M+Na-2H]- 291.04611 162.7
[M]+ 270.07089 166.6
[M]- 270.07199 166.6
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