CID 44717735

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

Structural Information

Molecular Formula
C4H4BrF4I
SMILES
C(CI)C(C(F)(F)Br)(F)F
InChI
InChI=1S/C4H4BrF4I/c5-4(8,9)3(6,7)1-2-10/h1-2H2
InChIKey
RVTKVMQIEJXBMP-UHFFFAOYSA-N
Compound name
1-bromo-1,1,2,2-tetrafluoro-4-iodobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

333.84772 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.85500 149.4
[M+Na]+ 356.83694 154.8
[M-H]- 332.84044 141.9
[M+NH4]+ 351.88154 166.2
[M+K]+ 372.81088 149.8
[M+H-H2O]+ 316.84498 144.3
[M+HCOO]- 378.84592 159.7
[M+CH3COO]- 392.86157 194.4
[M+Na-2H]- 354.82239 144.8
[M]+ 333.84717 159.2
[M]- 333.84827 159.2
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