CID 44853

Propan-2-yl 2-fluorobutanoate

Structural Information

Molecular Formula
C7H13FO2
SMILES
CCC(C(=O)OC(C)C)F
InChI
InChI=1S/C7H13FO2/c1-4-6(8)7(9)10-5(2)3/h5-6H,4H2,1-3H3
InChIKey
SIKPUIVEAYEIBW-UHFFFAOYSA-N
Compound name
propan-2-yl 2-fluorobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

148.08995 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.09723 131.1
[M+Na]+ 171.07917 137.7
[M-H]- 147.08267 130.1
[M+NH4]+ 166.12377 152.5
[M+K]+ 187.05311 138.5
[M+H-H2O]+ 131.08721 125.7
[M+HCOO]- 193.08815 151.3
[M+CH3COO]- 207.10380 177.9
[M+Na-2H]- 169.06462 133.4
[M]+ 148.08940 131.8
[M]- 148.09050 131.8
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