CID 2777270

1-chloro-3-(trifluoromethoxy)benzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

805
Patents

195.99028 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.99756 130.4
[M+Na]+ 218.97950 141.0
[M-H]- 194.98300 130.6
[M+NH4]+ 214.02410 150.9
[M+K]+ 234.95344 137.2
[M+H-H2O]+ 178.98754 123.7
[M+HCOO]- 240.98848 146.6
[M+CH3COO]- 255.00413 180.3
[M+Na-2H]- 216.96495 137.5
[M]+ 195.98973 129.3
[M]- 195.99083 129.3
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