CID 68005

4-fluorobenzal chloride

Structural Information

Molecular Formula
C7H5Cl2F
SMILES
C1=CC(=CC=C1C(Cl)Cl)F
InChI
InChI=1S/C7H5Cl2F/c8-7(9)5-1-3-6(10)4-2-5/h1-4,7H
InChIKey
MFIOEEWGBMJNGG-UHFFFAOYSA-N
Compound name
1-(dichloromethyl)-4-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

177.97523 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.98251 127.8
[M+Na]+ 200.96445 142.4
[M+NH4]+ 196.00905 137.6
[M+K]+ 216.93839 134.6
[M-H]- 176.96795 129.4
[M+Na-2H]- 198.94990 136.0
[M]+ 177.97468 131.0
[M]- 177.97578 131.0
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

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