CID 67875

1-(dichloromethyl)-3-fluorobenzene

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

44
Patents

177.97523 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.982506 127.5
[M+Na]+ 200.964448 137.6
[M-H]- 176.967954 129.4
[M+NH4]+ 196.009053 149.0
[M+K]+ 216.938388 132.7
[M+H-H2O]+ 160.972490 123.3
[M+HCOO]- 222.973431 141.0
[M+CH3COO]- 236.989081 178.9
[M+Na-2H]- 198.949896 133.2
[M]+ 177.97468142 128.3
[M]- 177.97577858 128.3
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