CID 125511610

(3e)-1,1-difluoro-4-methoxypent-3-en-2-one

Structural Information

Molecular Formula
C6H8F2O2
SMILES
C/C(=C\C(=O)C(F)F)/OC
InChI
InChI=1S/C6H8F2O2/c1-4(10-2)3-5(9)6(7)8/h3,6H,1-2H3/b4-3+
InChIKey
JUUCOBAYROZKKJ-ONEGZZNKSA-N
Compound name
(E)-1,1-difluoro-4-methoxypent-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.04924 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.05652 127.2
[M+Na]+ 173.03846 134.5
[M-H]- 149.04196 125.0
[M+NH4]+ 168.08306 148.3
[M+K]+ 189.01240 134.6
[M+H-H2O]+ 133.04650 121.1
[M+HCOO]- 195.04744 146.8
[M+CH3COO]- 209.06309 176.7
[M+Na-2H]- 171.02391 129.5
[M]+ 150.04869 125.5
[M]- 150.04979 125.5
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.