CID 153978615

2580191-49-5

Structural Information

Molecular Formula
C7H7F3O3
SMILES
C1C=C(COC1C(F)(F)F)C(=O)O
InChI
InChI=1S/C7H7F3O3/c8-7(9,10)5-2-1-4(3-13-5)6(11)12/h1,5H,2-3H2,(H,11,12)
InChIKey
MKBNNFUVEYJDKX-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)-3,6-dihydro-2H-pyran-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.03473 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.04201 134.6
[M+Na]+ 219.02395 142.0
[M-H]- 195.02745 133.6
[M+NH4]+ 214.06855 151.8
[M+K]+ 234.99789 141.6
[M+H-H2O]+ 179.03199 127.3
[M+HCOO]- 241.03293 149.7
[M+CH3COO]- 255.04858 178.5
[M+Na-2H]- 217.00940 139.5
[M]+ 196.03418 128.9
[M]- 196.03528 128.9
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.