CID 13356052

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

Structural Information

Molecular Formula
C12H10OS
SMILES
CC1=CC=C(S1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C12H10OS/c1-9-7-8-11(14-9)12(13)10-5-3-2-4-6-10/h2-8H,1H3
InChIKey
NZQSKSSFQCFCMX-UHFFFAOYSA-N
Compound name
(5-methylthiophen-2-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

202.04524 Da
Monoisotopic Mass

3.7
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

literature stripe

Patent stripe

patents stripe