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

190
Patents

168.03981 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04709 142.6
[M+Na]+ 191.02903 149.6
[M+NH4]+ 186.07363 148.9
[M+K]+ 207.00297 146.4
[M-H]- 167.03253 143.8
[M+Na-2H]- 189.01448 147.4
[M]+ 168.03926 144.6
[M]- 168.04036 144.6
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