CID 85505

4-chloro-3-nitrobenzaldehyde

Structural Information

Molecular Formula
C7H4ClNO3
SMILES
C1=CC(=C(C=C1C=O)[N+](=O)[O-])Cl
InChI
InChI=1S/C7H4ClNO3/c8-6-2-1-5(4-10)3-7(6)9(11)12/h1-4H
InChIKey
HETBKLHJEWXWBM-UHFFFAOYSA-N
Compound name
4-chloro-3-nitrobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

1312
Patents

184.98798 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.99526 131.0
[M+Na]+ 207.97720 146.1
[M+NH4]+ 203.02180 139.8
[M+K]+ 223.95114 142.0
[M-H]- 183.98070 134.3
[M+Na-2H]- 205.96265 138.3
[M]+ 184.98743 134.3
[M]- 184.98853 134.3
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