CID 56965712

5-amino-3-fluorobenzylamine

Structural Information

Molecular Formula
C7H9FN2
SMILES
C1=C(C=C(C=C1N)F)CN
InChI
InChI=1S/C7H9FN2/c8-6-1-5(4-9)2-7(10)3-6/h1-3H,4,9-10H2
InChIKey
KEIXKVWNQGTZAQ-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-5-fluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.07498 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.08226 125.6
[M+Na]+ 163.06420 134.2
[M-H]- 139.06770 127.7
[M+NH4]+ 158.10880 146.6
[M+K]+ 179.03814 131.5
[M+H-H2O]+ 123.07224 119.2
[M+HCOO]- 185.07318 150.6
[M+CH3COO]- 199.08883 178.6
[M+Na-2H]- 161.04965 131.3
[M]+ 140.07443 120.9
[M]- 140.07553 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.