CID 116007005

1599375-53-7

Structural Information

Molecular Formula
C8H7F3O3
SMILES
COCC1=CC=C(O1)C(=O)C(F)(F)F
InChI
InChI=1S/C8H7F3O3/c1-13-4-5-2-3-6(14-5)7(12)8(9,10)11/h2-3H,4H2,1H3
InChIKey
YSSGCWZOKRACLC-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-[5-(methoxymethyl)furan-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

208.03473 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.04201 136.8
[M+Na]+ 231.02395 146.0
[M-H]- 207.02745 137.6
[M+NH4]+ 226.06855 156.2
[M+K]+ 246.99789 146.0
[M+H-H2O]+ 191.03199 129.7
[M+HCOO]- 253.03293 156.6
[M+CH3COO]- 267.04858 183.4
[M+Na-2H]- 229.00940 141.5
[M]+ 208.03418 136.8
[M]- 208.03528 136.8
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

patents stripe