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

192
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 125.8
[M+Na]+ 191.02903 135.6
[M-H]- 167.03253 125.8
[M+NH4]+ 186.07363 142.6
[M+K]+ 207.00297 133.8
[M+H-H2O]+ 151.03707 119.6
[M+HCOO]- 213.03801 143.2
[M+CH3COO]- 227.05366 177.9
[M+Na-2H]- 189.01448 132.2
[M]+ 168.03926 124.4
[M]- 168.04036 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