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

231
Patents

215.94933 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.95661 145.7
[M+Na]+ 238.93855 157.8
[M-H]- 214.94205 148.6
[M+NH4]+ 233.98315 163.1
[M+K]+ 254.91249 149.3
[M+H-H2O]+ 198.94659 140.2
[M+HCOO]- 260.94753 159.3
[M+CH3COO]- 274.96318 192.2
[M+Na-2H]- 236.92400 150.9
[M]+ 215.94878 142.7
[M]- 215.94988 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