CID 296303

Beta-chloro-2-methyl-alpha,alpha,beta-trifluorophenetole

Structural Information

Molecular Formula
C9H8ClF3O
SMILES
CC1=CC=CC=C1OC(C(F)Cl)(F)F
InChI
InChI=1S/C9H8ClF3O/c1-6-4-2-3-5-7(6)14-9(12,13)8(10)11/h2-5,8H,1H3
InChIKey
IWJVUBUSVZHVJT-UHFFFAOYSA-N
Compound name
1-(2-chloro-1,1,2-trifluoroethoxy)-2-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

224.02158 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.028856 139.4
[M+Na]+ 247.010798 148.8
[M-H]- 223.014304 139.3
[M+NH4]+ 242.055403 158.6
[M+K]+ 262.984738 145.0
[M+H-H2O]+ 207.018840 132.4
[M+HCOO]- 269.019781 153.9
[M+CH3COO]- 283.035431 187.8
[M+Na-2H]- 244.996246 144.2
[M]+ 224.02103142 138.5
[M]- 224.02212858 138.5
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

patents stripe