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]+ 185.04201 126.6
[M+Na]+ 207.02395 135.6
[M-H]- 183.02745 125.0
[M+NH4]+ 202.06855 140.2
[M+K]+ 222.99789 132.7
[M+H-H2O]+ 167.03199 119.9
[M+HCOO]- 229.03293 141.6
[M+CH3COO]- 243.04858 178.2
[M+Na-2H]- 205.00940 132.4
[M]+ 184.03418 123.9
[M]- 184.03528 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.