CID 58993668

954124-41-5

Structural Information

Molecular Formula
C8H7Br2F
SMILES
CC(C1=CC(=CC(=C1)Br)F)Br
InChI
InChI=1S/C8H7Br2F/c1-5(9)6-2-7(10)4-8(11)3-6/h2-5H,1H3
InChIKey
BGGGJFNUNKBJRZ-UHFFFAOYSA-N
Compound name
1-bromo-3-(1-bromoethyl)-5-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

279.88986 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.89714 139.3
[M+Na]+ 302.87908 150.8
[M-H]- 278.88258 145.4
[M+NH4]+ 297.92368 159.3
[M+K]+ 318.85302 135.4
[M+H-H2O]+ 262.88712 147.2
[M+HCOO]- 324.88806 154.6
[M+CH3COO]- 338.90371 202.1
[M+Na-2H]- 300.86453 145.5
[M]+ 279.88931 172.0
[M]- 279.89041 172.0
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