CID 134817309

2181829-17-2

Structural Information

Molecular Formula
C8H4BrIS
SMILES
C1=CC2=C(C=C(S2)I)C(=C1)Br
InChI
InChI=1S/C8H4BrIS/c9-6-2-1-3-7-5(6)4-8(10)11-7/h1-4H
InChIKey
KYUIIXSJHDBAFB-UHFFFAOYSA-N
Compound name
4-bromo-2-iodo-1-benzothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

337.82617 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.83345 138.5
[M+Na]+ 360.81539 147.5
[M-H]- 336.81889 140.4
[M+NH4]+ 355.85999 159.4
[M+K]+ 376.78933 141.7
[M+H-H2O]+ 320.82343 136.8
[M+HCOO]- 382.82437 153.6
[M+CH3COO]- 396.84002 151.8
[M+Na-2H]- 358.80084 134.6
[M]+ 337.82562 157.3
[M]- 337.82672 157.3
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