CID 43154126

1-[5-(2-iodophenyl)thiophen-2-yl]-2-methylpropan-1-one

Structural Information

Molecular Formula
C14H13IOS
SMILES
CC(C)C(=O)C1=CC=C(S1)C2=CC=CC=C2I
InChI
InChI=1S/C14H13IOS/c1-9(2)14(16)13-8-7-12(17-13)10-5-3-4-6-11(10)15/h3-9H,1-2H3
InChIKey
HUQKNHBNQRIKGE-UHFFFAOYSA-N
Compound name
1-[5-(2-iodophenyl)thiophen-2-yl]-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.97318 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.98046 164.7
[M+Na]+ 378.96240 165.9
[M-H]- 354.96590 164.7
[M+NH4]+ 374.00700 179.5
[M+K]+ 394.93634 168.0
[M+H-H2O]+ 338.97044 155.0
[M+HCOO]- 400.97138 178.0
[M+CH3COO]- 414.98703 201.4
[M+Na-2H]- 376.94785 151.6
[M]+ 355.97263 164.6
[M]- 355.97373 164.6
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.