CID 71756245

2-chloro-6-hydroxy-3-nitrobenzaldehyde

Structural Information

Molecular Formula
C7H4ClNO4
SMILES
C1=CC(=C(C(=C1[N+](=O)[O-])Cl)C=O)O
InChI
InChI=1S/C7H4ClNO4/c8-7-4(3-10)6(11)2-1-5(7)9(12)13/h1-3,11H
InChIKey
OFNDKKDWCHJDGD-UHFFFAOYSA-N
Compound name
2-chloro-6-hydroxy-3-nitrobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.98288 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.99016 134.0
[M+Na]+ 223.97210 148.5
[M+NH4]+ 219.01670 141.9
[M+K]+ 239.94604 145.4
[M-H]- 199.97560 136.3
[M+Na-2H]- 221.95755 140.0
[M]+ 200.98233 136.8
[M]- 200.98343 136.8
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

No patent data available for this compound.