CID 11481025

(1r)-2-azido-1-(4-chlorophenyl)ethan-1-ol

Structural Information

Molecular Formula
C8H8ClN3O
SMILES
C1=CC(=CC=C1[C@H](CN=[N+]=[N-])O)Cl
InChI
InChI=1S/C8H8ClN3O/c9-7-3-1-6(2-4-7)8(13)5-11-12-10/h1-4,8,13H,5H2/t8-/m0/s1
InChIKey
CXFYQOLDGQVUGO-QMMMGPOBSA-N
Compound name
(1R)-2-azido-1-(4-chlorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

197.03558 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.04286 138.1
[M+Na]+ 220.02480 151.6
[M+NH4]+ 215.06940 147.2
[M+K]+ 235.99874 146.3
[M-H]- 196.02830 143.3
[M+Na-2H]- 218.01025 146.1
[M]+ 197.03503 141.6
[M]- 197.03613 141.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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