CID 23004675

2-(aminomethyl)-5-fluoroindole

Structural Information

Molecular Formula
C9H9FN2
SMILES
C1=CC2=C(C=C1F)C=C(N2)CN
InChI
InChI=1S/C9H9FN2/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-4,12H,5,11H2
InChIKey
PJOPNLWUFQKDGJ-UHFFFAOYSA-N
Compound name
(5-fluoro-1H-indol-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

19
Patents

164.07498 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.08226 129.6
[M+Na]+ 187.06420 140.3
[M-H]- 163.06770 130.7
[M+NH4]+ 182.10880 151.2
[M+K]+ 203.03814 135.6
[M+H-H2O]+ 147.07224 123.0
[M+HCOO]- 209.07318 153.0
[M+CH3COO]- 223.08883 143.6
[M+Na-2H]- 185.04965 136.6
[M]+ 164.07443 127.3
[M]- 164.07553 127.3
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