CID 18925769

Methyl 2-fluoro-4-(trifluoromethoxy)benzoate

Structural Information

Molecular Formula
C9H6F4O3
SMILES
COC(=O)C1=C(C=C(C=C1)OC(F)(F)F)F
InChI
InChI=1S/C9H6F4O3/c1-15-8(14)6-3-2-5(4-7(6)10)16-9(11,12)13/h2-4H,1H3
InChIKey
OXYMJWORFKPDFT-UHFFFAOYSA-N
Compound name
methyl 2-fluoro-4-(trifluoromethoxy)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

238.0253 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.032576 142.3
[M+Na]+ 261.014518 152.3
[M-H]- 237.018024 141.5
[M+NH4]+ 256.059123 160.3
[M+K]+ 276.988458 150.6
[M+H-H2O]+ 221.022560 133.5
[M+HCOO]- 283.023501 160.9
[M+CH3COO]- 297.039151 189.8
[M+Na-2H]- 258.999966 146.3
[M]+ 238.02475142 140.5
[M]- 238.02584858 140.5
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