CID 131267561

1-bromo-3-(bromomethyl)-4-fluoro-2-methylbenzene

Structural Information

Molecular Formula
C8H7Br2F
SMILES
CC1=C(C=CC(=C1CBr)F)Br
InChI
InChI=1S/C8H7Br2F/c1-5-6(4-9)8(11)3-2-7(5)10/h2-3H,4H2,1H3
InChIKey
CRBGNZFKJYVSPZ-UHFFFAOYSA-N
Compound name
1-bromo-3-(bromomethyl)-4-fluoro-2-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.88986 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.89714 147.9
[M+Na]+ 302.87908 143.8
[M+NH4]+ 297.92368 150.2
[M+K]+ 318.85302 149.2
[M-H]- 278.88258 148.4
[M+Na-2H]- 300.86453 149.5
[M]+ 279.88931 146.4
[M]- 279.89041 146.4
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.