CID 45790999

2,4-dichloro-1-(1,1-difluoroethyl)benzene

Structural Information

Molecular Formula
C8H6Cl2F2
SMILES
CC(C1=C(C=C(C=C1)Cl)Cl)(F)F
InChI
InChI=1S/C8H6Cl2F2/c1-8(11,12)6-3-2-5(9)4-7(6)10/h2-4H,1H3
InChIKey
CNYNOBPPFWUEKA-UHFFFAOYSA-N
Compound name
2,4-dichloro-1-(1,1-difluoroethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

209.98146 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.98874 137.0
[M+Na]+ 232.97068 150.2
[M+NH4]+ 228.01528 145.4
[M+K]+ 248.94462 143.1
[M-H]- 208.97418 136.5
[M+Na-2H]- 230.95613 143.8
[M]+ 209.98091 139.3
[M]- 209.98201 139.3
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