CID 15162476

136272-31-6

Structural Information

Molecular Formula

C₆H₂ClF₂NO₂

SMILES

C1=C(C=C(C(=C1F)[N+](=O)[O-])F)Cl

InChI

InChI=1S/C6H2ClF2NO2/c7-3-1-4(8)6(10(11)12)5(9)2-3/h1-2H

InChIKey

SYCSOTAABUJOHB-UHFFFAOYSA-N

Compound name

5-chloro-1,3-difluoro-2-nitrobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 192.97421 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]+	193.98149	128.7
[M+Na]+	215.96343	139.6
[M-H]-	191.96693	130.5
[M+NH4]+	211.00803	148.8
[M+K]+	231.93737	132.2
[M+H-H2O]+	175.97147	127.8
[M+HCOO]-	237.97241	148.8
[M+CH3COO]-	251.98806	176.3
[M+Na-2H]-	213.94888	135.6
[M]+	192.97366	127.5
[M]-	192.97476	127.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe