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

7
Patents

187.97957 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.98685 131.1
[M+Na]+ 210.96879 143.2
[M-H]- 186.97229 135.0
[M+NH4]+ 206.01339 152.9
[M+K]+ 226.94273 138.1
[M+H-H2O]+ 170.97683 128.1
[M+HCOO]- 232.97777 146.8
[M+CH3COO]- 246.99342 181.6
[M+Na-2H]- 208.95424 136.8
[M]+ 187.97902 135.5
[M]- 187.98012 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