CID 19850489

3,5-dichloro-2-fluorobenzonitrile

Structural Information

Molecular Formula
C7H2Cl2FN
SMILES
C1=C(C=C(C(=C1C#N)F)Cl)Cl
InChI
InChI=1S/C7H2Cl2FN/c8-5-1-4(3-11)7(10)6(9)2-5/h1-2H
InChIKey
MVNPDOOUQXSMMC-UHFFFAOYSA-N
Compound name
3,5-dichloro-2-fluorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

188.95483 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.962106 129.9
[M+Na]+ 211.944048 144.0
[M-H]- 187.947554 132.3
[M+NH4]+ 206.988653 149.5
[M+K]+ 227.917988 137.8
[M+H-H2O]+ 171.952090 119.8
[M+HCOO]- 233.953031 141.9
[M+CH3COO]- 247.968681 193.5
[M+Na-2H]- 209.929496 135.2
[M]+ 188.95428142 127.0
[M]- 188.95537858 127.0
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