CID 2736759

1,3-dibromo-1,1-difluorobutane

Structural Information

Molecular Formula
C4H6Br2F2
SMILES
CC(CC(F)(F)Br)Br
InChI
InChI=1S/C4H6Br2F2/c1-3(5)2-4(6,7)8/h3H,2H2,1H3
InChIKey
DYWJVIZPXZXUML-UHFFFAOYSA-N
Compound name
1,3-dibromo-1,1-difluorobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

249.88043 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.88771 138.1
[M+Na]+ 272.86965 149.3
[M-H]- 248.87315 140.5
[M+NH4]+ 267.91425 158.7
[M+K]+ 288.84359 133.9
[M+H-H2O]+ 232.87769 145.5
[M+HCOO]- 294.87863 151.0
[M+CH3COO]- 308.89428 197.5
[M+Na-2H]- 270.85510 144.6
[M]+ 249.87988 169.1
[M]- 249.88098 169.1
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