CID 68136

(dichlorofluoromethyl)benzene

Structural Information

Molecular Formula
C7H5Cl2F
SMILES
C1=CC=C(C=C1)C(F)(Cl)Cl
InChI
InChI=1S/C7H5Cl2F/c8-7(9,10)6-4-2-1-3-5-6/h1-5H
InChIKey
OMEURKZGLJYCGS-UHFFFAOYSA-N
Compound name
[dichloro(fluoro)methyl]benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

57
Patents

177.97523 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.98251 128.9
[M+Na]+ 200.96445 138.8
[M-H]- 176.96795 130.8
[M+NH4]+ 196.00905 150.3
[M+K]+ 216.93839 133.8
[M+H-H2O]+ 160.97249 124.7
[M+HCOO]- 222.97343 141.8
[M+CH3COO]- 236.98908 177.3
[M+Na-2H]- 198.94990 137.0
[M]+ 177.97468 129.5
[M]- 177.97578 129.5
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