CID 91663027

5-amino-4-chloro-2-fluorobenzonitrile

Structural Information

Molecular Formula
C7H4ClFN2
SMILES
C1=C(C(=CC(=C1N)Cl)F)C#N
InChI
InChI=1S/C7H4ClFN2/c8-5-2-6(9)4(3-10)1-7(5)11/h1-2H,11H2
InChIKey
CDHQUZJIGZYOOF-UHFFFAOYSA-N
Compound name
5-amino-4-chloro-2-fluorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.0047 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.01198 129.5
[M+Na]+ 192.99392 142.3
[M+NH4]+ 188.03852 134.8
[M+K]+ 208.96786 132.6
[M-H]- 168.99742 123.8
[M+Na-2H]- 190.97937 133.9
[M]+ 170.00415 129.1
[M]- 170.00525 129.1
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

No patent data available for this compound.