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]+ 194.047956 140.5
[M+Na]+ 216.029898 148.9
[M-H]- 192.033404 147.2
[M+NH4]+ 211.074503 163.6
[M+K]+ 232.003838 140.6
[M+H-H2O]+ 176.037940 139.4
[M+HCOO]- 238.038881 166.1
[M+CH3COO]- 252.054531 185.3
[M+Na-2H]- 214.015346 149.6
[M]+ 193.04013142 139.2
[M]- 193.04122858 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.