CID 43160799

1094457-87-0

Structural Information

Molecular Formula
C14H14O3S
SMILES
CC1=CC=C(S1)C(=O)C2=C(C=CC=C2OC)OC
InChI
InChI=1S/C14H14O3S/c1-9-7-8-12(18-9)14(15)13-10(16-2)5-4-6-11(13)17-3/h4-8H,1-3H3
InChIKey
VOPNZNIZMMPZDG-UHFFFAOYSA-N
Compound name
(2,6-dimethoxyphenyl)-(5-methylthiophen-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.06638 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.07366 157.8
[M+Na]+ 285.05560 167.3
[M-H]- 261.05910 165.8
[M+NH4]+ 280.10020 177.4
[M+K]+ 301.02954 164.4
[M+H-H2O]+ 245.06364 151.7
[M+HCOO]- 307.06458 177.8
[M+CH3COO]- 321.08023 195.2
[M+Na-2H]- 283.04105 157.3
[M]+ 262.06583 164.4
[M]- 262.06693 164.4
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.