CID 83410746

3-(aminomethyl)-2-fluorobenzonitrile hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

150.05933 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.066606 129.2
[M+Na]+ 173.048548 139.8
[M-H]- 149.052054 131.3
[M+NH4]+ 168.093153 148.1
[M+K]+ 189.022488 136.6
[M+H-H2O]+ 133.056590 116.6
[M+HCOO]- 195.057531 149.7
[M+CH3COO]- 209.073181 191.2
[M+Na-2H]- 171.033996 134.7
[M]+ 150.05878142 121.7
[M]- 150.05987858 121.7
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