CID 639896

2-methoxyphenyl thienyl ketone

Structural Information

Molecular Formula
C12H10O2S
SMILES
COC1=CC=CC=C1C(=O)C2=CC=CS2
InChI
InChI=1S/C12H10O2S/c1-14-10-6-3-2-5-9(10)12(13)11-7-4-8-15-11/h2-8H,1H3
InChIKey
HBTWCIUCSZGWDX-UHFFFAOYSA-N
Compound name
(2-methoxyphenyl)-thiophen-2-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

218.04015 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.047426 146.7
[M+Na]+ 241.029368 155.6
[M-H]- 217.032874 154.3
[M+NH4]+ 236.073973 167.6
[M+K]+ 257.003308 152.6
[M+H-H2O]+ 201.037410 140.7
[M+HCOO]- 263.038351 167.2
[M+CH3COO]- 277.054001 184.9
[M+Na-2H]- 239.014816 148.3
[M]+ 218.03960142 150.3
[M]- 218.04069858 150.3
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