CID 87719

1,4-dibromo-1,1,2,2-tetrafluorobutane

Structural Information

Molecular Formula
C4H4Br2F4
SMILES
C(CBr)C(C(F)(F)Br)(F)F
InChI
InChI=1S/C4H4Br2F4/c5-2-1-3(7,8)4(6,9)10/h1-2H2
InChIKey
ASHCDEYFCNWSTR-UHFFFAOYSA-N
Compound name
1,4-dibromo-1,1,2,2-tetrafluorobutane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

77
Patents

285.8616 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.86888 148.6
[M+Na]+ 308.85082 160.3
[M-H]- 284.85432 149.1
[M+NH4]+ 303.89542 168.0
[M+K]+ 324.82476 144.2
[M+H-H2O]+ 268.85886 154.7
[M+HCOO]- 330.85980 159.3
[M+CH3COO]- 344.87545 201.5
[M+Na-2H]- 306.83627 154.9
[M]+ 285.86105 177.3
[M]- 285.86215 177.3
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