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
1
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]+ 307.02471 161.5
[M+Na]+ 329.00665 167.3
[M-H]- 305.01015 163.3
[M+NH4]+ 324.05125 176.1
[M+K]+ 344.98059 163.8
[M+H-H2O]+ 289.01469 157.1
[M+HCOO]- 351.01563 174.1
[M+CH3COO]- 365.03128 203.7
[M+Na-2H]- 326.99210 162.4
[M]+ 306.01688 164.5
[M]- 306.01798 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.