CID 11481186

(r)-1-para-nitro-phenyl-2-azido-ethanol

Structural Information

Molecular Formula
C8H8N4O3
SMILES
C1=CC(=CC=C1[C@H](CN=[N+]=[N-])O)[N+](=O)[O-]
InChI
InChI=1S/C8H8N4O3/c9-11-10-5-8(13)6-1-3-7(4-2-6)12(14)15/h1-4,8,13H,5H2/t8-/m0/s1
InChIKey
DHEGJYKMZJGYGW-QMMMGPOBSA-N
Compound name
(1R)-2-azido-1-(4-nitrophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

208.05965 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.06693 141.4
[M+Na]+ 231.04887 146.3
[M-H]- 207.05237 146.1
[M+NH4]+ 226.09347 157.9
[M+K]+ 247.02281 136.7
[M+H-H2O]+ 191.05691 143.3
[M+HCOO]- 253.05785 170.8
[M+CH3COO]- 267.07350 181.8
[M+Na-2H]- 229.03432 151.8
[M]+ 208.05910 136.8
[M]- 208.06020 136.8
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

patents stripe