CID 6737

2,6-dichlorobenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

27
References

3972
Patents

173.96391 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.97119 127.2
[M+Na]+ 196.95313 138.8
[M-H]- 172.95663 130.9
[M+NH4]+ 191.99773 149.2
[M+K]+ 212.92707 133.9
[M+H-H2O]+ 156.96117 124.1
[M+HCOO]- 218.96211 143.2
[M+CH3COO]- 232.97776 177.5
[M+Na-2H]- 194.93858 134.0
[M]+ 173.96336 130.8
[M]- 173.96446 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