CID 130139466

4-chloro-5-methoxy-2-nitrobenzaldehyde

Structural Information

Molecular Formula
C8H6ClNO4
SMILES
COC1=C(C=C(C(=C1)C=O)[N+](=O)[O-])Cl
InChI
InChI=1S/C8H6ClNO4/c1-14-8-2-5(4-11)7(10(12)13)3-6(8)9/h2-4H,1H3
InChIKey
FPAUPTCEAXXSAA-UHFFFAOYSA-N
Compound name
4-chloro-5-methoxy-2-nitrobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.99854 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.005816 139.5
[M+Na]+ 237.987758 149.5
[M-H]- 213.991264 143.9
[M+NH4]+ 233.032363 158.6
[M+K]+ 253.961698 142.8
[M+H-H2O]+ 197.995800 139.7
[M+HCOO]- 259.996741 161.6
[M+CH3COO]- 274.012391 180.0
[M+Na-2H]- 235.973206 146.6
[M]+ 214.99799142 143.2
[M]- 214.99908858 143.2
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.