CID 74028

1,2-dichloro-4-fluorobenzene

Structural Information

Molecular Formula
C6H3Cl2F
SMILES
C1=CC(=C(C=C1F)Cl)Cl
InChI
InChI=1S/C6H3Cl2F/c7-5-2-1-4(9)3-6(5)8/h1-3H
InChIKey
QSDKXMVGRLVIQV-UHFFFAOYSA-N
Compound name
1,2-dichloro-4-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

441
Patents

163.95958 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.96686 122.4
[M+Na]+ 186.94880 134.2
[M-H]- 162.95230 124.8
[M+NH4]+ 181.99340 144.9
[M+K]+ 202.92274 129.2
[M+H-H2O]+ 146.95684 118.6
[M+HCOO]- 208.95778 137.2
[M+CH3COO]- 222.97343 176.2
[M+Na-2H]- 184.93425 129.3
[M]+ 163.95903 123.8
[M]- 163.96013 123.8
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