CID 180056

Propyl n-(4-chlorophenyl)carbamate

Structural Information

Molecular Formula
C10H12ClNO2
SMILES
CCCOC(=O)NC1=CC=C(C=C1)Cl
InChI
InChI=1S/C10H12ClNO2/c1-2-7-14-10(13)12-9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H,12,13)
InChIKey
FPYIZGDCCIJIMZ-UHFFFAOYSA-N
Compound name
propyl N-(4-chlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

213.05565 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.06293 144.0
[M+Na]+ 236.04487 156.5
[M+NH4]+ 231.08947 152.3
[M+K]+ 252.01881 149.7
[M-H]- 212.04837 146.2
[M+Na-2H]- 234.03032 150.7
[M]+ 213.05510 146.6
[M]- 213.05620 146.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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