CID 83815263

1-(fluoromethyl)cyclopentane-1-carboxylic acid

Structural Information

Molecular Formula
C7H11FO2
SMILES
C1CCC(C1)(CF)C(=O)O
InChI
InChI=1S/C7H11FO2/c8-5-7(6(9)10)3-1-2-4-7/h1-5H2,(H,9,10)
InChIKey
WIQTZMCXECVIST-UHFFFAOYSA-N
Compound name
1-(fluoromethyl)cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

146.07431 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.08159 129.7
[M+Na]+ 169.06353 136.2
[M-H]- 145.06703 130.3
[M+NH4]+ 164.10813 153.7
[M+K]+ 185.03747 135.1
[M+H-H2O]+ 129.07157 124.9
[M+HCOO]- 191.07251 149.7
[M+CH3COO]- 205.08816 169.7
[M+Na-2H]- 167.04898 133.5
[M]+ 146.07376 125.4
[M]- 146.07486 125.4
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