CID 12624183

3-bromo-4-iodothiophene

Structural Information

Molecular Formula
C4H2BrIS
SMILES
C1=C(C(=CS1)I)Br
InChI
InChI=1S/C4H2BrIS/c5-3-1-7-2-4(3)6/h1-2H
InChIKey
IIKCBCVSLGOBRF-UHFFFAOYSA-N
Compound name
3-bromo-4-iodothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

287.81052 Da
Monoisotopic Mass

2.9
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

No literature data available for this compound.

Patent stripe

patents stripe