CID 67596

1,4-dibromo-2,5-difluorobenzene

Structural Information

Molecular Formula
C6H2Br2F2
SMILES
C1=C(C(=CC(=C1Br)F)Br)F
InChI
InChI=1S/C6H2Br2F2/c7-3-1-5(9)4(8)2-6(3)10/h1-2H
InChIKey
GLVMLJCMUBZVTJ-UHFFFAOYSA-N
Compound name
1,4-dibromo-2,5-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

953
Patents

269.84912 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.856396 133.5
[M+Na]+ 292.838338 146.5
[M-H]- 268.841844 139.0
[M+NH4]+ 287.882943 154.0
[M+K]+ 308.812278 130.9
[M+H-H2O]+ 252.846380 141.0
[M+HCOO]- 314.847321 149.2
[M+CH3COO]- 328.862971 199.9
[M+Na-2H]- 290.823786 140.5
[M]+ 269.84857142 165.4
[M]- 269.84966858 165.4
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