CID 145874762

5,5-difluoro-4-methylpentan-2-one

Structural Information

Molecular Formula
C6H10F2O
SMILES
CC(CC(=O)C)C(F)F
InChI
InChI=1S/C6H10F2O/c1-4(6(7)8)3-5(2)9/h4,6H,3H2,1-2H3
InChIKey
RAIKVPSHQOLTIZ-UHFFFAOYSA-N
Compound name
5,5-difluoro-4-methylpentan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

136.06998 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07726 125.7
[M+Na]+ 159.05920 132.6
[M-H]- 135.06270 123.5
[M+NH4]+ 154.10380 147.3
[M+K]+ 175.03314 132.8
[M+H-H2O]+ 119.06724 119.7
[M+HCOO]- 181.06818 144.8
[M+CH3COO]- 195.08383 176.4
[M+Na-2H]- 157.04465 127.9
[M]+ 136.06943 123.3
[M]- 136.07053 123.3
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