CID 81485351

2,3-dibromo-5-iodothiophene

Structural Information

Molecular Formula
C4HBr2IS
SMILES
C1=C(SC(=C1Br)Br)I
InChI
InChI=1S/C4HBr2IS/c5-2-1-3(7)8-4(2)6/h1H
InChIKey
GBJCHTHMOAJBOD-UHFFFAOYSA-N
Compound name
2,3-dibromo-5-iodothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

365.72104 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.72832 129.7
[M+Na]+ 388.71026 138.4
[M-H]- 364.71376 132.4
[M+NH4]+ 383.75486 148.7
[M+K]+ 404.68420 128.0
[M+H-H2O]+ 348.71830 135.7
[M+HCOO]- 410.71924 140.8
[M+CH3COO]- 424.73489 202.2
[M+Na-2H]- 386.69571 126.5
[M]+ 365.72049 161.2
[M]- 365.72159 161.2
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