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 140.0
[M+Na]+ 247.01080 149.9
[M-H]- 223.01430 139.9
[M+NH4]+ 242.05540 159.5
[M+K]+ 262.98474 145.5
[M+H-H2O]+ 207.01884 132.9
[M+HCOO]- 269.01978 155.6
[M+CH3COO]- 283.03543 186.3
[M+Na-2H]- 244.99625 146.1
[M]+ 224.02103 139.7
[M]- 224.02213 139.7
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.