CID 165799926

5-bromo-3-chloro-2-iodothiophene

Structural Information

Molecular Formula
C4HBrClIS
SMILES
C1=C(SC(=C1Cl)I)Br
InChI
InChI=1S/C4HBrClIS/c5-3-1-2(6)4(7)8-3/h1H
InChIKey
BRVPFLWPXLXONF-UHFFFAOYSA-N
Compound name
5-bromo-3-chloro-2-iodothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.77155 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.77883 132.7
[M+Na]+ 344.76077 141.9
[M-H]- 320.76427 133.9
[M+NH4]+ 339.80537 153.9
[M+K]+ 360.73471 135.2
[M+H-H2O]+ 304.76881 131.6
[M+HCOO]- 366.76975 143.4
[M+CH3COO]- 380.78540 188.4
[M+Na-2H]- 342.74622 126.5
[M]+ 321.77100 151.1
[M]- 321.77210 151.1
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

No patent data available for this compound.