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

15
Patents

188.95483 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.96211 129.9
[M+Na]+ 211.94405 144.0
[M-H]- 187.94755 132.3
[M+NH4]+ 206.98865 149.5
[M+K]+ 227.91799 137.8
[M+H-H2O]+ 171.95209 119.8
[M+HCOO]- 233.95303 141.9
[M+CH3COO]- 247.96868 193.5
[M+Na-2H]- 209.92950 135.2
[M]+ 188.95428 127.0
[M]- 188.95538 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