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

767
Patents

195.99028 Da
Monoisotopic Mass

3.9
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

literature stripe

Patent stripe

patents stripe