CID 578998

2-amino-6-fluorobenzylamine

Structural Information

Molecular Formula
C7H9FN2
SMILES
C1=CC(=C(C(=C1)F)CN)N
InChI
InChI=1S/C7H9FN2/c8-6-2-1-3-7(10)5(6)4-9/h1-3H,4,9-10H2
InChIKey
KBIXYFABFIYSAU-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-3-fluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

167
Patents

140.07498 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.082256 125.6
[M+Na]+ 163.064198 134.2
[M-H]- 139.067704 127.7
[M+NH4]+ 158.108803 146.6
[M+K]+ 179.038138 131.5
[M+H-H2O]+ 123.072240 119.2
[M+HCOO]- 185.073181 150.6
[M+CH3COO]- 199.088831 178.6
[M+Na-2H]- 161.049646 131.3
[M]+ 140.07443142 120.9
[M]- 140.07552858 120.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe