CID 131268542

5-bromo-4-fluoro-2-methylbenzyl bromide

Structural Information

Molecular Formula
C8H7Br2F
SMILES
CC1=CC(=C(C=C1CBr)Br)F
InChI
InChI=1S/C8H7Br2F/c1-5-2-8(11)7(10)3-6(5)4-9/h2-3H,4H2,1H3
InChIKey
BLPBWORUCNGIIR-UHFFFAOYSA-N
Compound name
1-bromo-5-(bromomethyl)-2-fluoro-4-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 137.3
[M+Na]+ 302.87908 149.7
[M-H]- 278.88258 143.6
[M+NH4]+ 297.92368 157.6
[M+K]+ 318.85302 134.0
[M+H-H2O]+ 262.88712 145.2
[M+HCOO]- 324.88806 153.3
[M+CH3COO]- 338.90371 202.4
[M+Na-2H]- 300.86453 144.1
[M]+ 279.88931 170.7
[M]- 279.89041 170.7
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.