CID 4461932

2,6-dichloro-3-nitrobenzonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

184
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

No literature data available for this compound.

Patent stripe

patents stripe