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

77
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

No literature data available for this compound.

Patent stripe

patents stripe