CID 604961

3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride

Structural Information

Molecular Formula
C10H8ClF3O2
SMILES
COC(C1=CC=CC=C1)(C(=O)Cl)C(F)(F)F
InChI
InChI=1S/C10H8ClF3O2/c1-16-9(8(11)15,10(12,13)14)7-5-3-2-4-6-7/h2-6H,1H3
InChIKey
PAORVUMOXXAMPL-UHFFFAOYSA-N
Compound name
3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

21
References

1499
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 153.1
[M+Na]+ 275.00572 161.9
[M+NH4]+ 270.05032 158.3
[M+K]+ 290.97966 157.4
[M-H]- 251.00922 149.0
[M+Na-2H]- 272.99117 157.1
[M]+ 252.01595 153.2
[M]- 252.01705 153.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe