CID 21071571

2-(5,6-difluoro-1h-indol-3-yl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C10H10F2N2
SMILES
C1=C2C(=CC(=C1F)F)NC=C2CCN
InChI
InChI=1S/C10H10F2N2/c11-8-3-7-6(1-2-13)5-14-10(7)4-9(8)12/h3-5,14H,1-2,13H2
InChIKey
OAGWCIZEECVHRW-UHFFFAOYSA-N
Compound name
2-(5,6-difluoro-1H-indol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

196.0812 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08848 136.9
[M+Na]+ 219.07042 148.1
[M-H]- 195.07392 136.8
[M+NH4]+ 214.11502 157.5
[M+K]+ 235.04436 142.6
[M+H-H2O]+ 179.07846 129.3
[M+HCOO]- 241.07940 158.8
[M+CH3COO]- 255.09505 184.5
[M+Na-2H]- 217.05587 142.0
[M]+ 196.08065 134.2
[M]- 196.08175 134.2
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