CID 14300131

117528-59-3

Structural Information

Molecular Formula
C8HCl3FNO
SMILES
C1=C(C(=C(C(=C1F)Cl)C#N)Cl)C(=O)Cl
InChI
InChI=1S/C8HCl3FNO/c9-6-3(8(11)14)1-5(12)7(10)4(6)2-13/h1H
InChIKey
BEQRAINSLWDPAZ-UHFFFAOYSA-N
Compound name
2,4-dichloro-3-cyano-5-fluorobenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

250.91078 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.91806 141.6
[M+Na]+ 273.90000 156.0
[M-H]- 249.90350 143.2
[M+NH4]+ 268.94460 159.0
[M+K]+ 289.87394 149.1
[M+H-H2O]+ 233.90804 132.5
[M+HCOO]- 295.90898 148.1
[M+CH3COO]- 309.92463 203.5
[M+Na-2H]- 271.88545 143.8
[M]+ 250.91023 139.7
[M]- 250.91133 139.7
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