CID 66332

3-iodothiophene

Structural Information

Molecular Formula
C4H3IS
SMILES
C1=CSC=C1I
InChI
InChI=1S/C4H3IS/c5-4-1-2-6-3-4/h1-3H
InChIKey
WGKRMQIQXMJVFZ-UHFFFAOYSA-N
Compound name
3-iodothiophene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

2077
Patents

209.90002 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.907296 124.0
[M+Na]+ 232.889238 126.8
[M-H]- 208.892744 121.5
[M+NH4]+ 227.933843 144.4
[M+K]+ 248.863178 131.2
[M+H-H2O]+ 192.897280 116.0
[M+HCOO]- 254.898221 140.5
[M+CH3COO]- 268.913871 173.0
[M+Na-2H]- 230.874686 116.5
[M]+ 209.89947142 122.7
[M]- 209.90056858 122.7
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