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

2116
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 150.1
[M+Na]+ 268.03471 160.3
[M+NH4]+ 263.07931 156.5
[M+K]+ 284.00865 156.0
[M-H]- 244.03821 150.3
[M+Na-2H]- 266.02016 154.4
[M]+ 245.04494 151.5
[M]- 245.04604 151.5
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

patents stripe