CID 890870

3,5-dichloro-4-isopropoxybenzaldehyde

Structural Information

Molecular Formula
C10H10Cl2O2
SMILES
CC(C)OC1=C(C=C(C=C1Cl)C=O)Cl
InChI
InChI=1S/C10H10Cl2O2/c1-6(2)14-10-8(11)3-7(5-13)4-9(10)12/h3-6H,1-2H3
InChIKey
ZSUPYLWHFXVVDP-UHFFFAOYSA-N
Compound name
3,5-dichloro-4-propan-2-yloxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

232.00578 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.01306 142.7
[M+Na]+ 254.99500 153.7
[M-H]- 230.99850 146.5
[M+NH4]+ 250.03960 162.7
[M+K]+ 270.96894 149.0
[M+H-H2O]+ 215.00304 139.3
[M+HCOO]- 277.00398 157.1
[M+CH3COO]- 291.01963 190.3
[M+Na-2H]- 252.98045 146.2
[M]+ 232.00523 148.8
[M]- 232.00633 148.8
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