CID 80702

2,5-dichlorobenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

885
Patents

173.96391 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.97119 127.9
[M+Na]+ 196.95313 143.9
[M+NH4]+ 191.99773 137.9
[M+K]+ 212.92707 135.6
[M-H]- 172.95663 130.6
[M+Na-2H]- 194.93858 136.4
[M]+ 173.96336 131.6
[M]- 173.96446 131.6
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