CID 10490190

2-iodo-3-methoxythiophene

Structural Information

Molecular Formula
C5H5IOS
SMILES
COC1=C(SC=C1)I
InChI
InChI=1S/C5H5IOS/c1-7-4-2-3-8-5(4)6/h2-3H,1H3
InChIKey
POVLWDRUSKHAKW-UHFFFAOYSA-N
Compound name
2-iodo-3-methoxythiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

239.91058 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.91786 132.4
[M+Na]+ 262.89980 135.4
[M-H]- 238.90330 130.0
[M+NH4]+ 257.94440 151.9
[M+K]+ 278.87374 139.9
[M+H-H2O]+ 222.90784 124.2
[M+HCOO]- 284.90878 148.7
[M+CH3COO]- 298.92443 178.6
[M+Na-2H]- 260.88525 123.7
[M]+ 239.91003 133.1
[M]- 239.91113 133.1
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