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

2
Patents

337.82617 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.833446 138.5
[M+Na]+ 360.815388 147.5
[M-H]- 336.818894 140.4
[M+NH4]+ 355.859993 159.4
[M+K]+ 376.789328 141.7
[M+H-H2O]+ 320.823430 136.8
[M+HCOO]- 382.824371 153.6
[M+CH3COO]- 396.840021 151.8
[M+Na-2H]- 358.800836 134.6
[M]+ 337.82562142 157.3
[M]- 337.82671858 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