CID 21732079

2-fluoro-5-iodothiophene

Structural Information

Molecular Formula
C4H2FIS
SMILES
C1=C(SC(=C1)I)F
InChI
InChI=1S/C4H2FIS/c5-3-1-2-4(6)7-3/h1-2H
InChIKey
QKBQPGIVOIYVJF-UHFFFAOYSA-N
Compound name
2-fluoro-5-iodothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

227.8906 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.897876 123.9
[M+Na]+ 250.879818 127.5
[M-H]- 226.883324 120.5
[M+NH4]+ 245.924423 143.9
[M+K]+ 266.853758 131.5
[M+H-H2O]+ 210.887860 115.2
[M+HCOO]- 272.888801 139.4
[M+CH3COO]- 286.904451 176.5
[M+Na-2H]- 248.865266 115.4
[M]+ 227.89005142 122.0
[M]- 227.89114858 122.0
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

patents stripe