CID 19841

Etrofol

Structural Information

Molecular Formula
C8H8ClNO2
SMILES
CNC(=O)OC1=CC=CC=C1Cl
InChI
InChI=1S/C8H8ClNO2/c1-10-8(11)12-7-5-3-2-4-6(7)9/h2-5H,1H3,(H,10,11)
InChIKey
ZAGNMMRDHSEOPE-UHFFFAOYSA-N
Compound name
(2-chlorophenyl) N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

2025
Patents

185.02435 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.03163 134.9
[M+Na]+ 208.01357 147.8
[M+NH4]+ 203.05817 143.5
[M+K]+ 223.98751 141.5
[M-H]- 184.01707 137.2
[M+Na-2H]- 205.99902 142.2
[M]+ 185.02380 137.6
[M]- 185.02490 137.6
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

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