CID 137951453

2-(4-iodothiophen-2-yl)-1,3-dioxolane

Structural Information

Molecular Formula
C7H7IO2S
SMILES
C1COC(O1)C2=CC(=CS2)I
InChI
InChI=1S/C7H7IO2S/c8-5-3-6(11-4-5)7-9-1-2-10-7/h3-4,7H,1-2H2
InChIKey
FCXKIERNMMCBAT-UHFFFAOYSA-N
Compound name
2-(4-iodothiophen-2-yl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.92114 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.928416 144.3
[M+Na]+ 304.910358 146.4
[M-H]- 280.913864 145.8
[M+NH4]+ 299.954963 161.2
[M+K]+ 320.884298 152.8
[M+H-H2O]+ 264.918400 136.9
[M+HCOO]- 326.919341 158.5
[M+CH3COO]- 340.934991 154.7
[M+Na-2H]- 302.895806 134.7
[M]+ 281.92059142 144.0
[M]- 281.92168858 144.0
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.