CID 46311696

1,3-dibromo-2-(difluoromethyl)benzene

Structural Information

Molecular Formula
C7H4Br2F2
SMILES
C1=CC(=C(C(=C1)Br)C(F)F)Br
InChI
InChI=1S/C7H4Br2F2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,7H
InChIKey
UXNILIILGRHOPO-UHFFFAOYSA-N
Compound name
1,3-dibromo-2-(difluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

283.86478 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.87206 139.7
[M+Na]+ 306.85400 151.5
[M-H]- 282.85750 144.9
[M+NH4]+ 301.89860 159.5
[M+K]+ 322.82794 136.0
[M+H-H2O]+ 266.86204 147.0
[M+HCOO]- 328.86298 154.4
[M+CH3COO]- 342.87863 201.9
[M+Na-2H]- 304.83945 145.7
[M]+ 283.86423 171.1
[M]- 283.86533 171.1
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