CID 62224016

1250584-13-4

Structural Information

Molecular Formula
C10H8ClF3O2
SMILES
COC(=O)C(C1=CC=CC=C1C(F)(F)F)Cl
InChI
InChI=1S/C10H8ClF3O2/c1-16-9(15)8(11)6-4-2-3-5-7(6)10(12,13)14/h2-5,8H,1H3
InChIKey
MIHZHARLDBUUOS-UHFFFAOYSA-N
Compound name
methyl 2-chloro-2-[2-(trifluoromethyl)phenyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.0165 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.02378 151.9
[M+Na]+ 275.00572 161.1
[M+NH4]+ 270.05032 157.3
[M+K]+ 290.97966 156.4
[M-H]- 251.00922 148.3
[M+Na-2H]- 272.99117 155.6
[M]+ 252.01595 152.2
[M]- 252.01705 152.2
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.