CID 140096

2-iodo-5-methylthiophene

Structural Information

Molecular Formula
C5H5IS
SMILES
CC1=CC=C(S1)I
InChI
InChI=1S/C5H5IS/c1-4-2-3-5(6)7-4/h2-3H,1H3
InChIKey
NAZNQEXKAPLVKC-UHFFFAOYSA-N
Compound name
2-iodo-5-methylthiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

555
Patents

223.91566 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.92294 127.3
[M+Na]+ 246.90488 130.5
[M-H]- 222.90838 125.1
[M+NH4]+ 241.94948 147.6
[M+K]+ 262.87882 134.7
[M+H-H2O]+ 206.91292 119.4
[M+HCOO]- 268.91386 143.5
[M+CH3COO]- 282.92951 176.8
[M+Na-2H]- 244.89033 118.8
[M]+ 223.91511 126.7
[M]- 223.91621 126.7
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