CID 137002

1,3-dichloro-5-fluorobenzene

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

415
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 122.4
[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

No literature data available for this compound.

Patent stripe

patents stripe