CID 3035045

Nitrosochloramphenicol

Structural Information

Molecular Formula
C11H12Cl2N2O4
SMILES
C1=CC(=CC=C1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)N=O
InChI
InChI=1S/C11H12Cl2N2O4/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(15-19)4-2-6/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1
InChIKey
YEYNNMGBNJOTRQ-RKDXNWHRSA-N
Compound name
2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrosophenyl)propan-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

21
References

0
Patents

306.01743 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.024706 161.5
[M+Na]+ 329.006648 167.3
[M-H]- 305.010154 163.3
[M+NH4]+ 324.051253 176.1
[M+K]+ 344.980588 163.8
[M+H-H2O]+ 289.014690 157.1
[M+HCOO]- 351.015631 174.1
[M+CH3COO]- 365.031281 203.7
[M+Na-2H]- 326.992096 162.4
[M]+ 306.01688142 164.5
[M]- 306.01797858 164.5
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

No patent data available for this compound.