CID 2736367

4-bromo-1,1,2,2-tetrafluorobutane

Structural Information

Molecular Formula
C4H5BrF4
SMILES
C(CBr)C(C(F)F)(F)F
InChI
InChI=1S/C4H5BrF4/c5-2-1-4(8,9)3(6)7/h3H,1-2H2
InChIKey
FBWAAGBNRJEZIO-UHFFFAOYSA-N
Compound name
4-bromo-1,1,2,2-tetrafluorobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

207.95108 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.95836 136.7
[M+Na]+ 230.94030 148.5
[M-H]- 206.94380 135.1
[M+NH4]+ 225.98490 158.9
[M+K]+ 246.91424 138.0
[M+H-H2O]+ 190.94834 134.8
[M+HCOO]- 252.94928 152.1
[M+CH3COO]- 266.96493 184.2
[M+Na-2H]- 228.92575 142.3
[M]+ 207.95053 149.4
[M]- 207.95163 149.4
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