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 134.3
[M+Na]+ 232.97068 145.7
[M-H]- 208.97418 135.4
[M+NH4]+ 228.01528 155.0
[M+K]+ 248.94462 140.1
[M+H-H2O]+ 192.97872 129.5
[M+HCOO]- 254.97966 145.9
[M+CH3COO]- 268.99531 185.1
[M+Na-2H]- 230.95613 140.0
[M]+ 209.98091 134.9
[M]- 209.98201 134.9
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