CID 2724517

1,2-dibromo-3,5-difluorobenzene

Structural Information

Molecular Formula
C6H2Br2F2
SMILES
C1=C(C=C(C(=C1F)Br)Br)F
InChI
InChI=1S/C6H2Br2F2/c7-4-1-3(9)2-5(10)6(4)8/h1-2H
InChIKey
GABNJPUNFZFOJE-UHFFFAOYSA-N
Compound name
1,2-dibromo-3,5-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

269.84912 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.85640 133.5
[M+Na]+ 292.83834 146.5
[M-H]- 268.84184 139.0
[M+NH4]+ 287.88294 154.0
[M+K]+ 308.81228 130.9
[M+H-H2O]+ 252.84638 141.0
[M+HCOO]- 314.84732 149.2
[M+CH3COO]- 328.86297 199.9
[M+Na-2H]- 290.82379 140.5
[M]+ 269.84857 165.4
[M]- 269.84967 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