CID 83108329

56177-75-4

Structural Information

Molecular Formula
C8H7Cl2F2N
SMILES
C1=CC(=C(C=C1C(CN)(F)F)Cl)Cl
InChI
InChI=1S/C8H7Cl2F2N/c9-6-2-1-5(3-7(6)10)8(11,12)4-13/h1-3H,4,13H2
InChIKey
HWLWNYWMVQPECP-UHFFFAOYSA-N
Compound name
2-(3,4-dichlorophenyl)-2,2-difluoroethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.99236 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.99964 140.6
[M+Na]+ 247.98158 151.1
[M-H]- 223.98508 140.9
[M+NH4]+ 243.02618 160.0
[M+K]+ 263.95552 144.9
[M+H-H2O]+ 207.98962 135.4
[M+HCOO]- 269.99056 152.5
[M+CH3COO]- 284.00621 189.0
[M+Na-2H]- 245.96703 145.3
[M]+ 224.99181 139.5
[M]- 224.99291 139.5
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.