CID 16768434

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

Structural Information

Molecular Formula
C8H7FN2
SMILES
C1=CC=C(C(=C1)C(C#N)N)F
InChI
InChI=1S/C8H7FN2/c9-7-4-2-1-3-6(7)8(11)5-10/h1-4,8H,11H2
InChIKey
AWQQPJKXDFSSBQ-UHFFFAOYSA-N
Compound name
2-amino-2-(2-fluorophenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

150.05933 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.066606 131.0
[M+Na]+ 173.048548 140.5
[M-H]- 149.052054 132.7
[M+NH4]+ 168.093153 149.5
[M+K]+ 189.022488 137.6
[M+H-H2O]+ 133.056590 118.1
[M+HCOO]- 195.057531 150.6
[M+CH3COO]- 209.073181 190.9
[M+Na-2H]- 171.033996 135.9
[M]+ 150.05878142 122.5
[M]- 150.05987858 122.5
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