CID 71669455

1-chloro-4-(difluoromethoxy)-2-fluorobenzene

Structural Information

Molecular Formula
C7H4ClF3O
SMILES
C1=CC(=C(C=C1OC(F)F)F)Cl
InChI
InChI=1S/C7H4ClF3O/c8-5-2-1-4(3-6(5)9)12-7(10)11/h1-3,7H
InChIKey
RKPZABLOAPYQPY-UHFFFAOYSA-N
Compound name
1-chloro-4-(difluoromethoxy)-2-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 129.1
[M+Na]+ 218.97950 139.9
[M-H]- 194.98300 129.4
[M+NH4]+ 214.02410 149.7
[M+K]+ 234.95344 136.2
[M+H-H2O]+ 178.98754 122.3
[M+HCOO]- 240.98848 145.9
[M+CH3COO]- 255.00413 182.6
[M+Na-2H]- 216.96495 133.8
[M]+ 195.98973 128.4
[M]- 195.99083 128.4
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