CID 58513011

1236538-59-2

Structural Information

Molecular Formula
C8H4BrClS
SMILES
C1=CSC2=C(C=C(C=C21)Cl)Br
InChI
InChI=1S/C8H4BrClS/c9-7-4-6(10)3-5-1-2-11-8(5)7/h1-4H
InChIKey
INZLVUHXYROTAK-UHFFFAOYSA-N
Compound name
7-bromo-5-chloro-1-benzothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

245.89056 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.89784 133.9
[M+Na]+ 268.87978 151.2
[M-H]- 244.88328 142.9
[M+NH4]+ 263.92438 160.3
[M+K]+ 284.85372 137.9
[M+H-H2O]+ 228.88782 136.9
[M+HCOO]- 290.88876 149.4
[M+CH3COO]- 304.90441 151.7
[M+Na-2H]- 266.86523 141.0
[M]+ 245.89001 158.1
[M]- 245.89111 158.1
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

patents stripe