CID 84014562

2-methyl-5-(trifluoromethyl)furan-3-carboxylic acid

Structural Information

Molecular Formula
C7H5F3O3
SMILES
CC1=C(C=C(O1)C(F)(F)F)C(=O)O
InChI
InChI=1S/C7H5F3O3/c1-3-4(6(11)12)2-5(13-3)7(8,9)10/h2H,1H3,(H,11,12)
InChIKey
LPHPNVKQRGZXLH-UHFFFAOYSA-N
Compound name
2-methyl-5-(trifluoromethyl)furan-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.01907 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.02635 131.7
[M+Na]+ 217.00829 141.9
[M-H]- 193.01179 131.8
[M+NH4]+ 212.05289 151.4
[M+K]+ 232.98223 141.2
[M+H-H2O]+ 177.01633 125.4
[M+HCOO]- 239.01727 150.4
[M+CH3COO]- 253.03292 179.0
[M+Na-2H]- 214.99374 136.0
[M]+ 194.01852 129.9
[M]- 194.01962 129.9
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.