CID 12624182

4-bromo-2-iodothiophene

Structural Information

Molecular Formula
C4H2BrIS
SMILES
C1=C(SC=C1Br)I
InChI
InChI=1S/C4H2BrIS/c5-3-1-4(6)7-2-3/h1-2H
InChIKey
HRZQTBCVFBPNLR-UHFFFAOYSA-N
Compound name
4-bromo-2-iodothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

287.81052 Da
Monoisotopic Mass

3.0
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