CID 165703784

En300-1824369

Structural Information

Molecular Formula
C7H11FO2
SMILES
CC1(CC1(CF)C(=O)O)C
InChI
InChI=1S/C7H11FO2/c1-6(2)3-7(6,4-8)5(9)10/h3-4H2,1-2H3,(H,9,10)
InChIKey
YOWLKOSFTQSVRZ-UHFFFAOYSA-N
Compound name
1-(fluoromethyl)-2,2-dimethylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.07431 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.08159 126.7
[M+Na]+ 169.06353 137.3
[M-H]- 145.06703 129.7
[M+NH4]+ 164.10813 146.6
[M+K]+ 185.03747 136.6
[M+H-H2O]+ 129.07157 123.3
[M+HCOO]- 191.07251 146.9
[M+CH3COO]- 205.08816 176.7
[M+Na-2H]- 167.04898 133.4
[M]+ 146.07376 129.5
[M]- 146.07486 129.5
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.