CID 145874275

(3z)-5-bromo-4,5,5-trifluoropent-3-en-2-one

Structural Information

Molecular Formula
C5H4BrF3O
SMILES
CC(=O)/C=C(/C(F)(F)Br)\F
InChI
InChI=1S/C5H4BrF3O/c1-3(10)2-4(7)5(6,8)9/h2H,1H3/b4-2-
InChIKey
OPEDMNXUUJVIAR-RQOWECAXSA-N
Compound name
(Z)-5-bromo-4,5,5-trifluoropent-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.93976 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.94704 136.8
[M+Na]+ 238.92898 148.6
[M-H]- 214.93248 136.6
[M+NH4]+ 233.97358 158.8
[M+K]+ 254.90292 137.9
[M+H-H2O]+ 198.93702 135.8
[M+HCOO]- 260.93796 152.7
[M+CH3COO]- 274.95361 184.4
[M+Na-2H]- 236.91443 141.6
[M]+ 215.93921 150.6
[M]- 215.94031 150.6
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.