CID 21704890

(4-chlorothiophen-2-yl)(4-fluorophenyl)methanone

Structural Information

Molecular Formula
C11H6ClFOS
SMILES
C1=CC(=CC=C1C(=O)C2=CC(=CS2)Cl)F
InChI
InChI=1S/C11H6ClFOS/c12-8-5-10(15-6-8)11(14)7-1-3-9(13)4-2-7/h1-6H
InChIKey
PQLUHQUMUFDKFM-UHFFFAOYSA-N
Compound name
(4-chlorothiophen-2-yl)-(4-fluorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

239.98119 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.98847 146.6
[M+Na]+ 262.97041 157.6
[M-H]- 238.97391 153.2
[M+NH4]+ 258.01501 167.7
[M+K]+ 278.94435 152.1
[M+H-H2O]+ 222.97845 140.9
[M+HCOO]- 284.97939 161.5
[M+CH3COO]- 298.99504 187.5
[M+Na-2H]- 260.95586 147.0
[M]+ 239.98064 149.8
[M]- 239.98174 149.8
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