CID 10846328

53696-52-9

Structural Information

Molecular Formula

C₈H₇ClN₂O₃

SMILES

CN(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)Cl

InChI

InChI=1S/C8H7ClN2O3/c1-10(8(9)12)6-2-4-7(5-3-6)11(13)14/h2-5H,1H3

InChIKey

OYIZSOSLYPVWHP-UHFFFAOYSA-N

Compound name

N-methyl-N-(4-nitrophenyl)carbamoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 214.01453 Da
Monoisotopic Mass: 2.0
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]+	215.02181	139.7
[M+Na]+	237.00375	152.7
[M+NH4]+	232.04835	147.8
[M+K]+	252.97769	149.9
[M-H]-	213.00725	143.2
[M+Na-2H]-	234.98920	146.4
[M]+	214.01398	142.6
[M]-	214.01508	142.6

Literature stripe

literature stripe

Patent stripe

patents stripe