CID 82413501

2-cyclopropyl-3,3,3-trifluoropropanoic acid

Structural Information

Molecular Formula
C6H7F3O2
SMILES
C1CC1C(C(=O)O)C(F)(F)F
InChI
InChI=1S/C6H7F3O2/c7-6(8,9)4(5(10)11)3-1-2-3/h3-4H,1-2H2,(H,10,11)
InChIKey
YGHYJAUYHZTJKV-UHFFFAOYSA-N
Compound name
2-cyclopropyl-3,3,3-trifluoropropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.03981 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.047086 124.1
[M+Na]+ 191.029028 133.0
[M-H]- 167.032534 123.7
[M+NH4]+ 186.073633 138.9
[M+K]+ 207.002968 130.7
[M+H-H2O]+ 151.037070 116.6
[M+HCOO]- 213.038011 141.0
[M+CH3COO]- 227.053661 179.1
[M+Na-2H]- 189.014476 128.3
[M]+ 168.03926142 121.6
[M]- 168.04035858 121.6
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

No patent data available for this compound.