CID 185700

Benzene, trichlorodifluoro-

Structural Information

Molecular Formula
C6HCl3F2
SMILES
C1=C(C(=C(C(=C1Cl)Cl)Cl)F)F
InChI
InChI=1S/C6HCl3F2/c7-2-1-3(10)6(11)5(9)4(2)8/h1H
InChIKey
FHATZURTAWLVAG-UHFFFAOYSA-N
Compound name
1,2,3-trichloro-4,5-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

215.9112 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.91848 129.3
[M+Na]+ 238.90042 142.5
[M-H]- 214.90392 129.6
[M+NH4]+ 233.94502 149.9
[M+K]+ 254.87436 136.3
[M+H-H2O]+ 198.90846 125.6
[M+HCOO]- 260.90940 137.6
[M+CH3COO]- 274.92505 186.7
[M+Na-2H]- 236.88587 133.1
[M]+ 215.91065 130.4
[M]- 215.91175 130.4
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