CID 105466368

2-(5-chloro-7-fluoro-1h-indol-3-yl)ethan-1-amine

Structural Information

Molecular Formula
C10H10ClFN2
SMILES
C1=C(C=C(C2=C1C(=CN2)CCN)F)Cl
InChI
InChI=1S/C10H10ClFN2/c11-7-3-8-6(1-2-13)5-14-10(8)9(12)4-7/h3-5,14H,1-2,13H2
InChIKey
FAMIXXYBFGPKNQ-UHFFFAOYSA-N
Compound name
2-(5-chloro-7-fluoro-1H-indol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

212.05165 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.05893 141.7
[M+Na]+ 235.04087 153.5
[M-H]- 211.04437 142.6
[M+NH4]+ 230.08547 162.4
[M+K]+ 251.01481 146.7
[M+H-H2O]+ 195.04891 135.6
[M+HCOO]- 257.04985 160.0
[M+CH3COO]- 271.06550 155.0
[M+Na-2H]- 233.02632 146.7
[M]+ 212.05110 142.0
[M]- 212.05220 142.0
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