CID 130895096

5-bromo-3-(bromomethyl)-2-methyl-1-benzothiophene

Structural Information

Molecular Formula
C10H8Br2S
SMILES
CC1=C(C2=C(S1)C=CC(=C2)Br)CBr
InChI
InChI=1S/C10H8Br2S/c1-6-9(5-11)8-4-7(12)2-3-10(8)13-6/h2-4H,5H2,1H3
InChIKey
RZSBSLKYAAJIRS-UHFFFAOYSA-N
Compound name
5-bromo-3-(bromomethyl)-2-methyl-1-benzothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.87134 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.87862 135.9
[M+Na]+ 340.86056 150.8
[M-H]- 316.86406 144.9
[M+NH4]+ 335.90516 158.4
[M+K]+ 356.83450 134.9
[M+H-H2O]+ 300.86860 145.7
[M+HCOO]- 362.86954 150.5
[M+CH3COO]- 376.88519 152.2
[M+Na-2H]- 338.84601 142.4
[M]+ 317.87079 173.8
[M]- 317.87189 173.8
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.