CID 2724

Chlorphenesin carbamate

Structural Information

Molecular Formula
C10H12ClNO4
SMILES
C1=CC(=CC=C1OCC(COC(=O)N)O)Cl
InChI
InChI=1S/C10H12ClNO4/c11-7-1-3-9(4-2-7)15-5-8(13)6-16-10(12)14/h1-4,8,13H,5-6H2,(H2,12,14)
InChIKey
SKPLBLUECSEIFO-UHFFFAOYSA-N
Compound name
[3-(4-chlorophenoxy)-2-hydroxypropyl] carbamate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

35
References

2255
Patents

245.04549 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.05277 150.0
[M+Na]+ 268.03471 156.9
[M-H]- 244.03821 151.8
[M+NH4]+ 263.07931 166.9
[M+K]+ 284.00865 154.1
[M+H-H2O]+ 228.04275 144.7
[M+HCOO]- 290.04369 167.8
[M+CH3COO]- 304.05934 189.4
[M+Na-2H]- 266.02016 152.9
[M]+ 245.04494 152.8
[M]- 245.04604 152.8
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.