CID 13404

2,4-dichlorobenzaldehyde

Structural Information

Molecular Formula
C7H4Cl2O
SMILES
C1=CC(=C(C=C1Cl)Cl)C=O
InChI
InChI=1S/C7H4Cl2O/c8-6-2-1-5(4-10)7(9)3-6/h1-4H
InChIKey
YSFBEAASFUWWHU-UHFFFAOYSA-N
Compound name
2,4-dichlorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

38
References

6141
Patents

173.96391 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.971186 127.2
[M+Na]+ 196.953128 138.8
[M-H]- 172.956634 130.9
[M+NH4]+ 191.997733 149.2
[M+K]+ 212.927068 133.9
[M+H-H2O]+ 156.961170 124.1
[M+HCOO]- 218.962111 143.2
[M+CH3COO]- 232.977761 177.5
[M+Na-2H]- 194.938576 134.0
[M]+ 173.96336142 130.8
[M]- 173.96445858 130.8
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