CID 3397485

Methyl n-(2,3-dichlorophenyl)carbamate

Structural Information

Molecular Formula

C₈H₇Cl₂NO₂

SMILES

COC(=O)NC1=C(C(=CC=C1)Cl)Cl

InChI

InChI=1S/C8H7Cl2NO2/c1-13-8(12)11-6-4-2-3-5(9)7(6)10/h2-4H,1H3,(H,11,12)

InChIKey

VGWCYRNUEOCZDU-UHFFFAOYSA-N

Compound name

methyl N-(2,3-dichlorophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 218.98538 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	219.992656	140.4
[M+Na]+	241.974598	150.5
[M-H]-	217.978104	144.1
[M+NH4]+	237.019203	160.4
[M+K]+	257.948538	146.2
[M+H-H2O]+	201.982640	136.7
[M+HCOO]-	263.983581	156.4
[M+CH3COO]-	277.999231	186.6
[M+Na-2H]-	239.960046	145.6
[M]+	218.98483142	144.5
[M]-	218.98592858	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe