CID 29277112

1-(chloromethyl)-4-(2,2,2-trifluoroethoxy)benzene

Structural Information

Molecular Formula
C9H8ClF3O
SMILES
C1=CC(=CC=C1CCl)OCC(F)(F)F
InChI
InChI=1S/C9H8ClF3O/c10-5-7-1-3-8(4-2-7)14-6-9(11,12)13/h1-4H,5-6H2
InChIKey
MQBQVVMPYACAOW-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-4-(2,2,2-trifluoroethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.02158 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.02886 145.6
[M+Na]+ 247.01080 156.1
[M+NH4]+ 242.05540 152.1
[M+K]+ 262.98474 149.7
[M-H]- 223.01430 143.1
[M+Na-2H]- 244.99625 150.7
[M]+ 224.02103 146.5
[M]- 224.02213 146.5
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

No patent data available for this compound.