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

11
Patents

241.91658 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.923856 143.2
[M+Na]+ 264.905798 155.9
[M-H]- 240.909304 139.6
[M+NH4]+ 259.950403 164.0
[M+K]+ 280.879738 144.4
[M+H-H2O]+ 224.913840 140.2
[M+HCOO]- 286.914781 155.3
[M+CH3COO]- 300.930431 187.3
[M+Na-2H]- 262.891246 148.0
[M]+ 241.91603142 151.7
[M]- 241.91712858 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