CID 79002146

2-amino-6-chloro-4-fluorobenzonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

170.0047 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.01198 131.1
[M+Na]+ 192.99392 143.9
[M-H]- 168.99742 133.5
[M+NH4]+ 188.03852 150.4
[M+K]+ 208.96786 139.0
[M+H-H2O]+ 153.00196 119.8
[M+HCOO]- 215.00290 147.9
[M+CH3COO]- 229.01855 192.9
[M+Na-2H]- 190.97937 136.0
[M]+ 170.00415 125.5
[M]- 170.00525 125.5
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