CID 81123

5-chloro-2-nitrobenzaldehyde

Structural Information

Molecular Formula
C7H4ClNO3
SMILES
C1=CC(=C(C=C1Cl)C=O)[N+](=O)[O-]
InChI
InChI=1S/C7H4ClNO3/c8-6-1-2-7(9(11)12)5(3-6)4-10/h1-4H
InChIKey
SWGPIDCNYAYXMJ-UHFFFAOYSA-N
Compound name
5-chloro-2-nitrobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1408
Patents

184.98798 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.995256 132.5
[M+Na]+ 207.977198 142.1
[M-H]- 183.980704 136.6
[M+NH4]+ 203.021803 152.6
[M+K]+ 223.951138 135.2
[M+H-H2O]+ 167.985240 132.9
[M+HCOO]- 229.986181 154.7
[M+CH3COO]- 244.001831 173.7
[M+Na-2H]- 205.962646 140.5
[M]+ 184.98743142 134.1
[M]- 184.98852858 134.1
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