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 154.2
[M+Na]+ 291.00062 162.9
[M+NH4]+ 286.04522 159.0
[M+K]+ 306.97456 158.8
[M-H]- 267.00412 150.1
[M+Na-2H]- 288.98607 157.5
[M]+ 268.01085 154.2
[M]- 268.01195 154.2
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.