CID 24820209

1-bromo-2-(bromomethyl)-3-fluorobenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

265.8742 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.88148 133.9
[M+Na]+ 288.86342 146.0
[M-H]- 264.86692 140.1
[M+NH4]+ 283.90802 154.4
[M+K]+ 304.83736 130.5
[M+H-H2O]+ 248.87146 142.0
[M+HCOO]- 310.87240 150.2
[M+CH3COO]- 324.88805 199.3
[M+Na-2H]- 286.84887 141.7
[M]+ 265.87365 166.8
[M]- 265.87475 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

No literature data available for this compound.

Patent stripe

patents stripe