CID 622047

1-bromo-4-chloro-2,3,5,6-tetrafluorobenzene

Structural Information

Molecular Formula
C6BrClF4
SMILES
C1(=C(C(=C(C(=C1Cl)F)F)Br)F)F
InChI
InChI=1S/C6BrClF4/c7-1-3(9)5(11)2(8)6(12)4(1)10
InChIKey
NBLNPUIBUYHFAT-UHFFFAOYSA-N
Compound name
1-bromo-4-chloro-2,3,5,6-tetrafluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

261.8808 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.88808 137.0
[M+Na]+ 284.87002 154.2
[M-H]- 260.87352 139.8
[M+NH4]+ 279.91462 159.3
[M+K]+ 300.84396 140.3
[M+H-H2O]+ 244.87806 135.9
[M+HCOO]- 306.87900 151.5
[M+CH3COO]- 320.89465 192.9
[M+Na-2H]- 282.85547 141.6
[M]+ 261.88025 153.4
[M]- 261.88135 153.4
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