CID 136299

3-fluorobenzal bromide

Structural Information

Molecular Formula
C7H5Br2F
SMILES
C1=CC(=CC(=C1)F)C(Br)Br
InChI
InChI=1S/C7H5Br2F/c8-7(9)5-2-1-3-6(10)4-5/h1-4,7H
InChIKey
ZIAHZFPHXNQNQN-UHFFFAOYSA-N
Compound name
1-(dibromomethyl)-3-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

167
Patents

265.8742 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.881476 136.0
[M+Na]+ 288.863418 147.1
[M-H]- 264.866924 141.9
[M+NH4]+ 283.908023 156.2
[M+K]+ 304.837358 132.0
[M+H-H2O]+ 248.871460 144.0
[M+HCOO]- 310.872401 151.5
[M+CH3COO]- 324.888051 199.0
[M+Na-2H]- 286.848866 143.2
[M]+ 265.87365142 168.1
[M]- 265.87474858 168.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe