CID 13529069

1,2,3,5-tetrachloro-4-fluorobenzene

Structural Information

Molecular Formula
C6HCl4F
SMILES
C1=C(C(=C(C(=C1Cl)Cl)Cl)F)Cl
InChI
InChI=1S/C6HCl4F/c7-2-1-3(8)6(11)5(10)4(2)9/h1H
InChIKey
NXNFFHOPOGLYKR-UHFFFAOYSA-N
Compound name
1,2,3,5-tetrachloro-4-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

231.88164 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.88892 135.6
[M+Na]+ 254.87086 147.9
[M-H]- 230.87436 135.3
[M+NH4]+ 249.91546 154.8
[M+K]+ 270.84480 141.8
[M+H-H2O]+ 214.87890 133.1
[M+HCOO]- 276.87984 139.0
[M+CH3COO]- 290.89549 190.3
[M+Na-2H]- 252.85631 138.3
[M]+ 231.88109 136.6
[M]- 231.88219 136.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe