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

512
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.