CID 14877933

87417-71-8

Structural Information

Molecular Formula
C7H5Cl2F
SMILES
C1=CC(=C(C=C1Cl)F)CCl
InChI
InChI=1S/C7H5Cl2F/c8-4-5-1-2-6(9)3-7(5)10/h1-3H,4H2
InChIKey
CMGAVHMLDNAXBU-UHFFFAOYSA-N
Compound name
4-chloro-1-(chloromethyl)-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

177.97523 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.98251 127.2
[M+Na]+ 200.96445 138.5
[M-H]- 176.96795 129.4
[M+NH4]+ 196.00905 149.1
[M+K]+ 216.93839 133.2
[M+H-H2O]+ 160.97249 123.2
[M+HCOO]- 222.97343 141.7
[M+CH3COO]- 236.98908 179.1
[M+Na-2H]- 198.94990 133.5
[M]+ 177.97468 129.0
[M]- 177.97578 129.0
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

patents stripe