CID 54556761

1,3-dichloro-5-(difluoromethoxy)benzene

Structural Information

Molecular Formula
C7H4Cl2F2O
SMILES
C1=C(C=C(C=C1Cl)Cl)OC(F)F
InChI
InChI=1S/C7H4Cl2F2O/c8-4-1-5(9)3-6(2-4)12-7(10)11/h1-3,7H
InChIKey
FCLSMGWLXCOXGV-UHFFFAOYSA-N
Compound name
1,3-dichloro-5-(difluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

211.96072 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.96800 131.5
[M+Na]+ 234.94994 142.6
[M-H]- 210.95344 132.5
[M+NH4]+ 229.99454 151.9
[M+K]+ 250.92388 137.8
[M+H-H2O]+ 194.95798 126.4
[M+HCOO]- 256.95892 144.3
[M+CH3COO]- 270.97457 184.5
[M+Na-2H]- 232.93539 136.1
[M]+ 211.96017 133.2
[M]- 211.96127 133.2
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