CID 59432130

1-chloro-2-(difluoromethoxy)-3-fluorobenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

195.99028 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.99756 135.6
[M+Na]+ 218.97950 146.7
[M+NH4]+ 214.02410 142.5
[M+K]+ 234.95344 140.6
[M-H]- 194.98300 133.6
[M+Na-2H]- 216.96495 140.9
[M]+ 195.98973 136.6
[M]- 195.99083 136.6
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