CID 10683147

3-butyl-2-iodothiophene

Structural Information

Molecular Formula
C8H11IS
SMILES
CCCCC1=C(SC=C1)I
InChI
InChI=1S/C8H11IS/c1-2-3-4-7-5-6-10-8(7)9/h5-6H,2-4H2,1H3
InChIKey
QOQSKBTYALXFPI-UHFFFAOYSA-N
Compound name
3-butyl-2-iodothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

265.96262 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.96990 141.8
[M+Na]+ 288.95184 143.7
[M-H]- 264.95534 138.9
[M+NH4]+ 283.99644 160.4
[M+K]+ 304.92578 147.0
[M+H-H2O]+ 248.95988 133.2
[M+HCOO]- 310.96082 156.9
[M+CH3COO]- 324.97647 185.3
[M+Na-2H]- 286.93729 131.6
[M]+ 265.96207 142.1
[M]- 265.96317 142.1
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