CID 21281445

(5-fluoro-1h-indol-3-yl)methanamine

Structural Information

Molecular Formula
C9H9FN2
SMILES
C1=CC2=C(C=C1F)C(=CN2)CN
InChI
InChI=1S/C9H9FN2/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5,12H,4,11H2
InChIKey
LGLWMSAHNFEOHJ-UHFFFAOYSA-N
Compound name
(5-fluoro-1H-indol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

164.07498 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.082256 129.6
[M+Na]+ 187.064198 140.3
[M-H]- 163.067704 130.7
[M+NH4]+ 182.108803 151.2
[M+K]+ 203.038138 135.6
[M+H-H2O]+ 147.072240 123.0
[M+HCOO]- 209.073181 153.0
[M+CH3COO]- 223.088831 143.6
[M+Na-2H]- 185.049646 136.6
[M]+ 164.07443142 127.3
[M]- 164.07552858 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