CID 117276564

5-(aminomethyl)-2,4-difluorobenzonitrile hydrochloride

Structural Information

Molecular Formula
C8H6F2N2
SMILES
C1=C(C(=CC(=C1C#N)F)F)CN
InChI
InChI=1S/C8H6F2N2/c9-7-2-8(10)6(4-12)1-5(7)3-11/h1-2H,3,11H2
InChIKey
DSAVMJJDLQNEBW-UHFFFAOYSA-N
Compound name
5-(aminomethyl)-2,4-difluorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.04991 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.05719 129.7
[M+Na]+ 191.03913 141.1
[M-H]- 167.04263 130.8
[M+NH4]+ 186.08373 148.1
[M+K]+ 207.01307 137.7
[M+H-H2O]+ 151.04717 116.4
[M+HCOO]- 213.04811 149.3
[M+CH3COO]- 227.06376 194.7
[M+Na-2H]- 189.02458 134.2
[M]+ 168.04936 121.5
[M]- 168.05046 121.5
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

No patent data available for this compound.