CID 2778205

396716-50-0

Structural Information

Molecular Formula
C6H2Br2F10O
SMILES
C(C(C(F)(F)F)(F)F)OC(C(C(F)(F)F)(F)Br)(F)Br
InChI
InChI=1S/C6H2Br2F10O/c7-3(11,6(16,17)18)4(8,12)19-1-2(9,10)5(13,14)15/h1H2
InChIKey
XLBTXLUOMWOOEO-UHFFFAOYSA-N
Compound name
1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,3,3,3-pentafluoropropoxy)propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.83127 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.83855 192.7
[M+Na]+ 460.82049 204.2
[M-H]- 436.82399 187.6
[M+NH4]+ 455.86509 206.3
[M+K]+ 476.79443 187.3
[M+H-H2O]+ 420.82853 194.2
[M+HCOO]- 482.82947 194.1
[M+CH3COO]- 496.84512 220.9
[M+Na-2H]- 458.80594 195.0
[M]+ 437.83072 212.4
[M]- 437.83182 212.4
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

No patent data available for this compound.