CID 2736352

Bromopentafluoroacetone

Structural Information

Molecular Formula
C3BrF5O
SMILES
C(=O)(C(F)(F)F)C(F)(F)Br
InChI
InChI=1S/C3BrF5O/c4-2(5,6)1(10)3(7,8)9
InChIKey
IYDJQZOFWOSTFO-UHFFFAOYSA-N
Compound name
1-bromo-1,1,3,3,3-pentafluoropropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

225.90527 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.91255 137.0
[M+Na]+ 248.89449 149.9
[M-H]- 224.89799 134.7
[M+NH4]+ 243.93909 158.4
[M+K]+ 264.86843 139.4
[M+H-H2O]+ 208.90253 134.9
[M+HCOO]- 270.90347 150.6
[M+CH3COO]- 284.91912 184.7
[M+Na-2H]- 246.87994 143.2
[M]+ 225.90472 148.1
[M]- 225.90582 148.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe