CID 2736821

2,4-dichloro-5-fluorobenzoyl chloride

Structural Information

Molecular Formula
C7H2Cl3FO
SMILES
C1=C(C(=CC(=C1F)Cl)Cl)C(=O)Cl
InChI
InChI=1S/C7H2Cl3FO/c8-4-2-5(9)6(11)1-3(4)7(10)12/h1-2H
InChIKey
RPZXUSJCSDQNTE-UHFFFAOYSA-N
Compound name
2,4-dichloro-5-fluorobenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

404
Patents

225.91553 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.92281 133.8
[M+Na]+ 248.90475 145.8
[M-H]- 224.90825 135.3
[M+NH4]+ 243.94935 153.7
[M+K]+ 264.87869 140.0
[M+H-H2O]+ 208.91279 130.7
[M+HCOO]- 270.91373 142.4
[M+CH3COO]- 284.92938 187.6
[M+Na-2H]- 246.89020 137.2
[M]+ 225.91498 136.3
[M]- 225.91608 136.3
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