CID 82129

4-nitrophenyl chloroformate

Structural Information

Molecular Formula

C₇H₄ClNO₄

SMILES

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

InChI

InChI=1S/C7H4ClNO4/c8-7(10)13-6-3-1-5(2-4-6)9(11)12/h1-4H

InChIKey

NXLNNXIXOYSCMB-UHFFFAOYSA-N

Compound name

(4-nitrophenyl) carbonochloridate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 31
References: 36212
Patents: 200.98288 Da
Monoisotopic Mass: 2.6
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]+	201.99016	135.5
[M+Na]+	223.97210	144.0
[M-H]-	199.97560	139.5
[M+NH4]+	219.01670	154.6
[M+K]+	239.94604	138.0
[M+H-H2O]+	183.98014	135.6
[M+HCOO]-	245.98108	157.1
[M+CH3COO]-	259.99673	174.7
[M+Na-2H]-	221.95755	143.2
[M]+	200.98233	137.5
[M]-	200.98343	137.5

Literature stripe

literature stripe

Patent stripe

patents stripe