CID 130480499

1-(1-chloroethyl)-3-(trifluoromethoxy)benzene

Structural Information

Molecular Formula
C9H8ClF3O
SMILES
CC(C1=CC(=CC=C1)OC(F)(F)F)Cl
InChI
InChI=1S/C9H8ClF3O/c1-6(10)7-3-2-4-8(5-7)14-9(11,12)13/h2-6H,1H3
InChIKey
WTDDHNGSXVJYLP-UHFFFAOYSA-N
Compound name
1-(1-chloroethyl)-3-(trifluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.02158 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.02886 139.5
[M+Na]+ 247.01080 149.1
[M-H]- 223.01430 139.5
[M+NH4]+ 242.05540 158.9
[M+K]+ 262.98474 145.3
[M+H-H2O]+ 207.01884 132.6
[M+HCOO]- 269.01978 154.1
[M+CH3COO]- 283.03543 187.1
[M+Na-2H]- 244.99625 144.4
[M]+ 224.02103 138.7
[M]- 224.02213 138.7
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.