CID 5366001

2-bromo-1,1,1,4,4,4-hexafluoro-2-butene

Structural Information

Molecular Formula
C4HBrF6
SMILES
C(=C(/C(F)(F)F)\Br)\C(F)(F)F
InChI
InChI=1S/C4HBrF6/c5-2(4(9,10)11)1-3(6,7)8/h1H/b2-1-
InChIKey
KSWYRKGFPCBMHX-UPHRSURJSA-N
Compound name
(Z)-2-bromo-1,1,1,4,4,4-hexafluorobut-2-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

16
Patents

241.91658 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.92386 143.2
[M+Na]+ 264.90580 155.9
[M-H]- 240.90930 139.6
[M+NH4]+ 259.95040 164.0
[M+K]+ 280.87974 144.4
[M+H-H2O]+ 224.91384 140.2
[M+HCOO]- 286.91478 155.3
[M+CH3COO]- 300.93043 187.3
[M+Na-2H]- 262.89125 148.0
[M]+ 241.91603 151.7
[M]- 241.91713 151.7
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