CID 82413502

2-[1-(trifluoromethyl)cyclopropyl]acetic acid

Structural Information

Molecular Formula
C6H7F3O2
SMILES
C1CC1(CC(=O)O)C(F)(F)F
InChI
InChI=1S/C6H7F3O2/c7-6(8,9)5(1-2-5)3-4(10)11/h1-3H2,(H,10,11)
InChIKey
JWVHOPCZDUVEAV-UHFFFAOYSA-N
Compound name
2-[1-(trifluoromethyl)cyclopropyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

155
Patents

168.03981 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.047086 125.8
[M+Na]+ 191.029028 135.6
[M-H]- 167.032534 125.8
[M+NH4]+ 186.073633 142.6
[M+K]+ 207.002968 133.8
[M+H-H2O]+ 151.037070 119.6
[M+HCOO]- 213.038011 143.2
[M+CH3COO]- 227.053661 177.9
[M+Na-2H]- 189.014476 132.2
[M]+ 168.03926142 124.4
[M]- 168.04035858 124.4
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