CID 50998400

2,3-dibromo-1,4-difluorobenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
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

No literature data available for this compound.

Patent stripe

patents stripe