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

0
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 140.5
[M+Na]+ 216.02990 148.9
[M-H]- 192.03340 147.2
[M+NH4]+ 211.07450 163.6
[M+K]+ 232.00384 140.6
[M+H-H2O]+ 176.03794 139.4
[M+HCOO]- 238.03888 166.1
[M+CH3COO]- 252.05453 185.3
[M+Na-2H]- 214.01535 149.6
[M]+ 193.04013 139.2
[M]- 193.04123 139.2
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

No patent data available for this compound.