CID 335615

(3-methylthiophen-2-yl)(phenyl)methanone

Structural Information

Molecular Formula
C12H10OS
SMILES
CC1=C(SC=C1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C12H10OS/c1-9-7-8-14-12(9)11(13)10-5-3-2-4-6-10/h2-8H,1H3
InChIKey
UIILDZWHBSSNPM-UHFFFAOYSA-N
Compound name
(3-methylthiophen-2-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

202.04524 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.05252 142.9
[M+Na]+ 225.03446 152.0
[M-H]- 201.03796 150.6
[M+NH4]+ 220.07906 164.6
[M+K]+ 241.00840 148.5
[M+H-H2O]+ 185.04250 137.2
[M+HCOO]- 247.04344 163.2
[M+CH3COO]- 261.05909 182.9
[M+Na-2H]- 223.01991 144.5
[M]+ 202.04469 145.2
[M]- 202.04579 145.2
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

patents stripe