CID 137002

3,5-dichlorofluorobenzene

Structural Information

Molecular Formula
C6H3Cl2F
SMILES
C1=C(C=C(C=C1Cl)Cl)F
InChI
InChI=1S/C6H3Cl2F/c7-4-1-5(8)3-6(9)2-4/h1-3H
InChIKey
BLWGKIXZAUOECS-UHFFFAOYSA-N
Compound name
1,3-dichloro-5-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

319
Patents

163.95958 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.96686 122.6
[M+Na]+ 186.94880 138.1
[M+NH4]+ 181.99340 132.7
[M+K]+ 202.92274 129.9
[M-H]- 162.95230 124.5
[M+Na-2H]- 184.93425 131.2
[M]+ 163.95903 126.0
[M]- 163.96013 126.0
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