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

753
Patents

195.99028 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.997556 130.4
[M+Na]+ 218.979498 141.0
[M-H]- 194.983004 130.6
[M+NH4]+ 214.024103 150.9
[M+K]+ 234.953438 137.2
[M+H-H2O]+ 178.987540 123.7
[M+HCOO]- 240.988481 146.6
[M+CH3COO]- 255.004131 180.3
[M+Na-2H]- 216.964946 137.5
[M]+ 195.98973142 129.3
[M]- 195.99082858 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