CID 2782782

1-chloro-2-(trifluoromethoxy)benzene

Structural Information

Molecular Formula
C7H4ClF3O
SMILES
C1=CC=C(C(=C1)OC(F)(F)F)Cl
InChI
InChI=1S/C7H4ClF3O/c8-5-3-1-2-4-6(5)12-7(9,10)11/h1-4H
InChIKey
NZRLCYJRHKUVCV-UHFFFAOYSA-N
Compound name
1-chloro-2-(trifluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

454
Patents

195.99028 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.99756 137.0
[M+Na]+ 218.97950 147.8
[M+NH4]+ 214.02410 143.8
[M+K]+ 234.95344 141.9
[M-H]- 194.98300 134.6
[M+Na-2H]- 216.96495 142.7
[M]+ 195.98973 138.0
[M]- 195.99083 138.0
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

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