CID 13781173

3-iodo-4-methylfuran

Structural Information

Molecular Formula
C5H5IO
SMILES
CC1=COC=C1I
InChI
InChI=1S/C5H5IO/c1-4-2-7-3-5(4)6/h2-3H,1H3
InChIKey
CKIDRBHDTSITDM-UHFFFAOYSA-N
Compound name
3-iodo-4-methylfuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

207.9385 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.94578 124.4
[M+Na]+ 230.92772 127.1
[M-H]- 206.93122 122.3
[M+NH4]+ 225.97232 143.3
[M+K]+ 246.90166 133.2
[M+H-H2O]+ 190.93576 116.6
[M+HCOO]- 252.93670 144.8
[M+CH3COO]- 266.95235 174.8
[M+Na-2H]- 228.91317 120.1
[M]+ 207.93795 123.5
[M]- 207.93905 123.5
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