CID 21905443

4-(aminomethyl)-3-fluorobenzonitrile

Structural Information

Molecular Formula
C8H7FN2
SMILES
C1=CC(=C(C=C1C#N)F)CN
InChI
InChI=1S/C8H7FN2/c9-8-3-6(4-10)1-2-7(8)5-11/h1-3H,5,11H2
InChIKey
YOPZVUBFUQTUKA-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-3-fluorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

150.05933 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.06661 129.2
[M+Na]+ 173.04855 139.8
[M-H]- 149.05205 131.3
[M+NH4]+ 168.09315 148.1
[M+K]+ 189.02249 136.6
[M+H-H2O]+ 133.05659 116.6
[M+HCOO]- 195.05753 149.7
[M+CH3COO]- 209.07318 191.2
[M+Na-2H]- 171.03400 134.7
[M]+ 150.05878 121.7
[M]- 150.05988 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