CID 5009439

Methyl 2-(2-chloro-1,1,2-trifluoroethoxy)benzoate

Structural Information

Molecular Formula
C10H8ClF3O3
SMILES
COC(=O)C1=CC=CC=C1OC(C(F)Cl)(F)F
InChI
InChI=1S/C10H8ClF3O3/c1-16-8(15)6-4-2-3-5-7(6)17-10(13,14)9(11)12/h2-5,9H,1H3
InChIKey
QEZLBZLCQDPNAR-UHFFFAOYSA-N
Compound name
methyl 2-(2-chloro-1,1,2-trifluoroethoxy)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.0114 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.01868 148.2
[M+Na]+ 291.00062 157.3
[M-H]- 267.00412 148.2
[M+NH4]+ 286.04522 165.5
[M+K]+ 306.97456 154.2
[M+H-H2O]+ 251.00866 140.9
[M+HCOO]- 313.00960 162.2
[M+CH3COO]- 327.02525 194.0
[M+Na-2H]- 288.98607 151.6
[M]+ 268.01085 149.4
[M]- 268.01195 149.4
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.