CID 2794912

2,6-dichloro-3-nitrobenzaldehyde

Structural Information

Molecular Formula
C7H3Cl2NO3
SMILES
C1=CC(=C(C(=C1[N+](=O)[O-])Cl)C=O)Cl
InChI
InChI=1S/C7H3Cl2NO3/c8-5-1-2-6(10(12)13)7(9)4(5)3-11/h1-3H
InChIKey
CQOQHGBSJIWOCA-UHFFFAOYSA-N
Compound name
2,6-dichloro-3-nitrobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

168
Patents

218.949 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.95628 139.1
[M+Na]+ 241.93822 149.5
[M-H]- 217.94172 142.6
[M+NH4]+ 236.98282 158.3
[M+K]+ 257.91216 141.4
[M+H-H2O]+ 201.94626 140.6
[M+HCOO]- 263.94720 156.0
[M+CH3COO]- 277.96285 179.7
[M+Na-2H]- 239.92367 145.5
[M]+ 218.94845 142.1
[M]- 218.94955 142.1
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