CID 115016612

1893991-91-7

Structural Information

Molecular Formula
C6H7F3O3
SMILES
C1CC1C(C(=O)O)(C(F)(F)F)O
InChI
InChI=1S/C6H7F3O3/c7-6(8,9)5(12,4(10)11)3-1-2-3/h3,12H,1-2H2,(H,10,11)
InChIKey
OQBSVDKCBIBDSF-UHFFFAOYSA-N
Compound name
2-cyclopropyl-3,3,3-trifluoro-2-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.03473 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.042006 126.6
[M+Na]+ 207.023948 135.6
[M-H]- 183.027454 125.0
[M+NH4]+ 202.068553 140.2
[M+K]+ 222.997888 132.7
[M+H-H2O]+ 167.031990 119.9
[M+HCOO]- 229.032931 141.6
[M+CH3COO]- 243.048581 178.2
[M+Na-2H]- 205.009396 132.4
[M]+ 184.03418142 123.9
[M]- 184.03527858 123.9
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.