CID 137563

1,3-dichloro-2,4,6-trifluorobenzene

Structural Information

Molecular Formula
C6HCl2F3
SMILES
C1=C(C(=C(C(=C1F)Cl)F)Cl)F
InChI
InChI=1S/C6HCl2F3/c7-4-2(9)1-3(10)5(8)6(4)11/h1H
InChIKey
UOGVNYNJSZHQCN-UHFFFAOYSA-N
Compound name
2,4-dichloro-1,3,5-trifluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

79
Patents

199.94073 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.94801 125.1
[M+Na]+ 222.92995 138.6
[M-H]- 198.93345 125.3
[M+NH4]+ 217.97455 146.5
[M+K]+ 238.90389 132.9
[M+H-H2O]+ 182.93799 119.8
[M+HCOO]- 244.93893 137.8
[M+CH3COO]- 258.95458 183.9
[M+Na-2H]- 220.91540 129.5
[M]+ 199.94018 125.0
[M]- 199.94128 125.0
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