CID 170912445

1,3,3-trifluorocyclopentane-1-carboxylic acid

Structural Information

Molecular Formula
C6H7F3O2
SMILES
C1CC(CC1(C(=O)O)F)(F)F
InChI
InChI=1S/C6H7F3O2/c7-5(4(10)11)1-2-6(8,9)3-5/h1-3H2,(H,10,11)
InChIKey
IPTQMKLNAYXAMP-UHFFFAOYSA-N
Compound name
1,3,3-trifluorocyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.03981 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.047086 127.2
[M+Na]+ 191.029028 136.2
[M-H]- 167.032534 126.0
[M+NH4]+ 186.073633 152.5
[M+K]+ 207.002968 134.6
[M+H-H2O]+ 151.037070 122.1
[M+HCOO]- 213.038011 145.5
[M+CH3COO]- 227.053661 173.2
[M+Na-2H]- 189.014476 131.3
[M]+ 168.03926142 121.0
[M]- 168.04035858 121.0
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.