CID 119002752

2,5-dichloro-4-(difluoromethoxy)aniline

Structural Information

Molecular Formula
C7H5Cl2F2NO
SMILES
C1=C(C(=CC(=C1Cl)OC(F)F)Cl)N
InChI
InChI=1S/C7H5Cl2F2NO/c8-3-2-6(13-7(10)11)4(9)1-5(3)12/h1-2,7H,12H2
InChIKey
SLVLLTDZVJXRAD-UHFFFAOYSA-N
Compound name
2,5-dichloro-4-(difluoromethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.97162 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.97890 137.3
[M+Na]+ 249.96084 148.4
[M-H]- 225.96434 138.0
[M+NH4]+ 245.00544 156.8
[M+K]+ 265.93478 143.2
[M+H-H2O]+ 209.96888 132.2
[M+HCOO]- 271.96982 150.5
[M+CH3COO]- 285.98547 189.7
[M+Na-2H]- 247.94629 140.2
[M]+ 226.97107 137.6
[M]- 226.97217 137.7
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

No patent data available for this compound.