CID 16768422

2-amino-2-(2-chloro-6-fluorophenyl)acetonitrile hydrochloride

Structural Information

Molecular Formula
C8H6ClFN2
SMILES
C1=CC(=C(C(=C1)Cl)C(C#N)N)F
InChI
InChI=1S/C8H6ClFN2/c9-5-2-1-3-6(10)8(5)7(12)4-11/h1-3,7H,12H2
InChIKey
JYJKMAOOMMXHOM-UHFFFAOYSA-N
Compound name
2-amino-2-(2-chloro-6-fluorophenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.02036 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.02764 136.5
[M+Na]+ 207.00958 147.8
[M-H]- 183.01308 138.5
[M+NH4]+ 202.05418 154.9
[M+K]+ 222.98352 143.0
[M+H-H2O]+ 167.01762 124.8
[M+HCOO]- 229.01856 152.1
[M+CH3COO]- 243.03421 195.4
[M+Na-2H]- 204.99503 140.4
[M]+ 184.01981 130.3
[M]- 184.02091 130.3
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.