CID 5047634

Butyl n-(2,3-dichlorophenyl)carbamate

Structural Information

Molecular Formula
C11H13Cl2NO2
SMILES
CCCCOC(=O)NC1=C(C(=CC=C1)Cl)Cl
InChI
InChI=1S/C11H13Cl2NO2/c1-2-3-7-16-11(15)14-9-6-4-5-8(12)10(9)13/h4-6H,2-3,7H2,1H3,(H,14,15)
InChIKey
UDJDNQBVCNBTBC-UHFFFAOYSA-N
Compound name
butyl N-(2,3-dichlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.03235 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.03963 154.4
[M+Na]+ 284.02157 163.3
[M-H]- 260.02507 157.6
[M+NH4]+ 279.06617 172.7
[M+K]+ 299.99551 158.2
[M+H-H2O]+ 244.02961 150.1
[M+HCOO]- 306.03055 169.4
[M+CH3COO]- 320.04620 195.5
[M+Na-2H]- 282.00702 158.0
[M]+ 261.03180 159.6
[M]- 261.03290 159.6
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.