CID 67575

320-65-0

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

31
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 127.5
[M+Na]+ 200.96445 137.6
[M-H]- 176.96795 129.4
[M+NH4]+ 196.00905 149.0
[M+K]+ 216.93839 132.7
[M+H-H2O]+ 160.97249 123.3
[M+HCOO]- 222.97343 141.0
[M+CH3COO]- 236.98908 178.9
[M+Na-2H]- 198.94990 133.2
[M]+ 177.97468 128.3
[M]- 177.97578 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

No literature data available for this compound.

Patent stripe

patents stripe