CID 54160792

769-64-2

Structural Information

Molecular Formula
C8H4BrFS
SMILES
C1=CC=C2C(=C1)C(=C(S2)F)Br
InChI
InChI=1S/C8H4BrFS/c9-7-5-3-1-2-4-6(5)11-8(7)10/h1-4H
InChIKey
OOGCZGNBLWLQRR-UHFFFAOYSA-N
Compound name
3-bromo-2-fluoro-1-benzothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

229.9201 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.92738 131.1
[M+Na]+ 252.90932 147.5
[M-H]- 228.91282 138.9
[M+NH4]+ 247.95392 157.2
[M+K]+ 268.88326 135.6
[M+H-H2O]+ 212.91736 132.5
[M+HCOO]- 274.91830 150.1
[M+CH3COO]- 288.93395 148.7
[M+Na-2H]- 250.89477 138.0
[M]+ 229.91955 152.6
[M]- 229.92065 152.6
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.