CID 21435437

3,5-dichloro-4-methylbenzaldehyde

Structural Information

Molecular Formula
C8H6Cl2O
SMILES
CC1=C(C=C(C=C1Cl)C=O)Cl
InChI
InChI=1S/C8H6Cl2O/c1-5-7(9)2-6(4-11)3-8(5)10/h2-4H,1H3
InChIKey
UNBMICVOUHLMAX-UHFFFAOYSA-N
Compound name
3,5-dichloro-4-methylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

187.97957 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.986846 131.1
[M+Na]+ 210.968788 143.2
[M-H]- 186.972294 135.0
[M+NH4]+ 206.013393 152.9
[M+K]+ 226.942728 138.1
[M+H-H2O]+ 170.976830 128.1
[M+HCOO]- 232.977771 146.8
[M+CH3COO]- 246.993421 181.6
[M+Na-2H]- 208.954236 136.8
[M]+ 187.97902142 135.5
[M]- 187.98011858 135.5
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

patents stripe