CID 96581660

2138429-76-0

Structural Information

Molecular Formula
C7H11FO2
SMILES
C1C[C@H]([C@@H](C1)C(=O)O)CF
InChI
InChI=1S/C7H11FO2/c8-4-5-2-1-3-6(5)7(9)10/h5-6H,1-4H2,(H,9,10)/t5-,6+/m0/s1
InChIKey
MGOTVJGSPFSCDC-NTSWFWBYSA-N
Compound name
(1R,2R)-2-(fluoromethyl)cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.07431 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.08159 129.4
[M+Na]+ 169.06353 136.0
[M-H]- 145.06703 130.0
[M+NH4]+ 164.10813 151.7
[M+K]+ 185.03747 134.7
[M+H-H2O]+ 129.07157 123.9
[M+HCOO]- 191.07251 149.4
[M+CH3COO]- 205.08816 171.3
[M+Na-2H]- 167.04898 131.4
[M]+ 146.07376 125.2
[M]- 146.07486 125.2
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.