CID 1808402

Butyl n-(4-chlorophenyl)carbamate

Structural Information

Molecular Formula
C11H14ClNO2
SMILES
CCCCOC(=O)NC1=CC=C(C=C1)Cl
InChI
InChI=1S/C11H14ClNO2/c1-2-3-8-15-11(14)13-10-6-4-9(12)5-7-10/h4-7H,2-3,8H2,1H3,(H,13,14)
InChIKey
LNDRNLATBCUCDB-UHFFFAOYSA-N
Compound name
butyl N-(4-chlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

12
Patents

227.0713 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.078576 149.1
[M+Na]+ 250.060518 156.6
[M-H]- 226.064024 152.6
[M+NH4]+ 245.105123 168.0
[M+K]+ 266.034458 153.1
[M+H-H2O]+ 210.068560 143.6
[M+HCOO]- 272.069501 169.2
[M+CH3COO]- 286.085151 189.8
[M+Na-2H]- 248.045966 154.1
[M]+ 227.07075142 152.8
[M]- 227.07184858 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

literature stripe

Patent stripe

patents stripe