CID 59702450

Methyl 3-fluoro-2,2-dimethylpropanoate

Structural Information

Molecular Formula
C6H11FO2
SMILES
CC(C)(CF)C(=O)OC
InChI
InChI=1S/C6H11FO2/c1-6(2,4-7)5(8)9-3/h4H2,1-3H3
InChIKey
YZUZRXGMHIZNGK-UHFFFAOYSA-N
Compound name
methyl 3-fluoro-2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

134.07431 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.081586 125.4
[M+Na]+ 157.063528 133.4
[M-H]- 133.067034 124.9
[M+NH4]+ 152.108133 147.7
[M+K]+ 173.037468 134.0
[M+H-H2O]+ 117.071570 120.9
[M+HCOO]- 179.072511 146.4
[M+CH3COO]- 193.088161 173.4
[M+Na-2H]- 155.048976 131.6
[M]+ 134.07376142 126.6
[M]- 134.07485858 126.6
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

patents stripe