CID 10935115

2-bromo-3-iodothiophene

Structural Information

Molecular Formula
C4H2BrIS
SMILES
C1=CSC(=C1I)Br
InChI
InChI=1S/C4H2BrIS/c5-4-3(6)1-2-7-4/h1-2H
InChIKey
YDISVLUEVDWDIO-UHFFFAOYSA-N
Compound name
2-bromo-3-iodothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

43
Patents

287.81052 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.81780 129.9
[M+Na]+ 310.79974 137.5
[M-H]- 286.80324 130.8
[M+NH4]+ 305.84434 151.2
[M+K]+ 326.77368 132.7
[M+H-H2O]+ 270.80778 127.9
[M+HCOO]- 332.80872 144.7
[M+CH3COO]- 346.82437 184.1
[M+Na-2H]- 308.78519 124.3
[M]+ 287.80997 146.5
[M]- 287.81107 146.5
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