CID 2778644

396716-51-1

Structural Information

Molecular Formula
C6H3Br2F9O
SMILES
C(C(C(F)F)(F)F)OC(C(C(F)(F)F)(F)Br)(F)Br
InChI
InChI=1S/C6H3Br2F9O/c7-4(13,6(15,16)17)5(8,14)18-1-3(11,12)2(9)10/h2H,1H2
InChIKey
IQOBRELAYPOQIZ-UHFFFAOYSA-N
Compound name
1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,3,3-tetrafluoropropoxy)propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

419.8407 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.84798 186.2
[M+Na]+ 442.82992 197.3
[M-H]- 418.83342 181.8
[M+NH4]+ 437.87452 200.5
[M+K]+ 458.80386 180.6
[M+H-H2O]+ 402.83796 188.3
[M+HCOO]- 464.83890 188.9
[M+CH3COO]- 478.85455 219.2
[M+Na-2H]- 440.81537 187.8
[M]+ 419.84015 207.8
[M]- 419.84125 207.8
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