CID 2757543

160658-68-4

Structural Information

Molecular Formula
C7H5Cl2F
SMILES
C1=CC(=C(C=C1CCl)F)Cl
InChI
InChI=1S/C7H5Cl2F/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H2
InChIKey
ILWFNKLXPUKLEP-UHFFFAOYSA-N
Compound name
1-chloro-4-(chloromethyl)-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

177.97523 Da
Monoisotopic Mass

3.0
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

No literature data available for this compound.

Patent stripe

patents stripe