CID 105463819

2-(4,6-difluoro-2-methyl-1h-indol-3-yl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C11H12F2N2
SMILES
CC1=C(C2=C(N1)C=C(C=C2F)F)CCN
InChI
InChI=1S/C11H12F2N2/c1-6-8(2-3-14)11-9(13)4-7(12)5-10(11)15-6/h4-5,15H,2-3,14H2,1H3
InChIKey
VPNMDGBLVPLPBY-UHFFFAOYSA-N
Compound name
2-(4,6-difluoro-2-methyl-1H-indol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.09685 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.10413 141.9
[M+Na]+ 233.08607 153.6
[M-H]- 209.08957 142.0
[M+NH4]+ 228.13067 162.2
[M+K]+ 249.06001 147.9
[M+H-H2O]+ 193.09411 134.5
[M+HCOO]- 255.09505 163.5
[M+CH3COO]- 269.11070 188.8
[M+Na-2H]- 231.07152 145.7
[M]+ 210.09630 139.9
[M]- 210.09740 139.9
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.