CID 125425218

(1r)-1-azido-5-chloro-2,3-dihydro-1h-indene

Structural Information

Molecular Formula
C9H8ClN3
SMILES
C1CC2=C([C@@H]1N=[N+]=[N-])C=CC(=C2)Cl
InChI
InChI=1S/C9H8ClN3/c10-7-2-3-8-6(5-7)1-4-9(8)12-13-11/h2-3,5,9H,1,4H2/t9-/m1/s1
InChIKey
NPBKYMVVVFANLE-SECBINFHSA-N
Compound name
(1R)-1-azido-5-chloro-2,3-dihydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

193.04068 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.04796 136.5
[M+Na]+ 216.02990 150.5
[M+NH4]+ 211.07450 147.5
[M+K]+ 232.00384 145.5
[M-H]- 192.03340 143.0
[M+Na-2H]- 214.01535 144.2
[M]+ 193.04013 140.5
[M]- 193.04123 140.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.