CID 139594835

3-[2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2-(hydroxymethyl)-2-methylcyclopropanecarboxylic acid

Structural Information

Molecular Formula
C9H10ClF3O3
SMILES
CC1(C(C1C(=O)O)/C=C(/C(F)(F)F)\Cl)CO
InChI
InChI=1S/C9H10ClF3O3/c1-8(3-14)4(6(8)7(15)16)2-5(10)9(11,12)13/h2,4,6,14H,3H2,1H3,(H,15,16)/b5-2-
InChIKey
DXNGARGFKRJLRK-DJWKRKHSSA-N
Compound name
3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2-(hydroxymethyl)-2-methylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

258.02707 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.03435 138.5
[M+Na]+ 281.01629 148.9
[M-H]- 257.01979 137.2
[M+NH4]+ 276.06089 152.4
[M+K]+ 296.99023 143.8
[M+H-H2O]+ 241.02433 134.0
[M+HCOO]- 303.02527 148.8
[M+CH3COO]- 317.04092 191.2
[M+Na-2H]- 279.00174 140.9
[M]+ 258.02652 139.1
[M]- 258.02762 139.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.