CID 2782465

1-bromo-3,5-dichloro-2,4,6-trifluorobenzene

Structural Information

Molecular Formula
C6BrCl2F3
SMILES
C1(=C(C(=C(C(=C1Cl)F)Br)F)Cl)F
InChI
InChI=1S/C6BrCl2F3/c7-1-4(10)2(8)6(12)3(9)5(1)11
InChIKey
CZFXDIJFSGMXRV-UHFFFAOYSA-N
Compound name
1-bromo-3,5-dichloro-2,4,6-trifluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

277.85126 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.85854 137.0
[M+Na]+ 300.84048 154.7
[M-H]- 276.84398 140.4
[M+NH4]+ 295.88508 159.2
[M+K]+ 316.81442 139.8
[M+H-H2O]+ 260.84852 137.5
[M+HCOO]- 322.84946 147.8
[M+CH3COO]- 336.86511 194.6
[M+Na-2H]- 298.82593 141.8
[M]+ 277.85071 155.4
[M]- 277.85181 155.4
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