CID 2736020

2,3-dichloro-6-nitrobenzonitrile

Structural Information

Molecular Formula
C7H2Cl2N2O2
SMILES
C1=CC(=C(C(=C1[N+](=O)[O-])C#N)Cl)Cl
InChI
InChI=1S/C7H2Cl2N2O2/c8-5-1-2-6(11(12)13)4(3-10)7(5)9/h1-2H
InChIKey
RDFDRMZYAXQLRT-UHFFFAOYSA-N
Compound name
2,3-dichloro-6-nitrobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

215.94933 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.956606 145.7
[M+Na]+ 238.938548 157.8
[M-H]- 214.942054 148.6
[M+NH4]+ 233.983153 163.1
[M+K]+ 254.912488 149.3
[M+H-H2O]+ 198.946590 140.2
[M+HCOO]- 260.947531 159.3
[M+CH3COO]- 274.963181 192.2
[M+Na-2H]- 236.923996 150.9
[M]+ 215.94878142 142.7
[M]- 215.94987858 142.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe