CID 517972

1-bromo-2-(bromomethyl)-4-fluorobenzene

Structural Information

Molecular Formula
C7H5Br2F
SMILES
C1=CC(=C(C=C1F)CBr)Br
InChI
InChI=1S/C7H5Br2F/c8-4-5-3-6(10)1-2-7(5)9/h1-3H,4H2
InChIKey
CZLWYKAZAVYQIK-UHFFFAOYSA-N
Compound name
1-bromo-2-(bromomethyl)-4-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

483
Patents

265.8742 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.881476 133.9
[M+Na]+ 288.863418 146.0
[M-H]- 264.866924 140.1
[M+NH4]+ 283.908023 154.4
[M+K]+ 304.837358 130.5
[M+H-H2O]+ 248.871460 142.0
[M+HCOO]- 310.872401 150.2
[M+CH3COO]- 324.888051 199.3
[M+Na-2H]- 286.848866 141.7
[M]+ 265.87365142 166.8
[M]- 265.87474858 166.8
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