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]+ 233.013056 142.7
[M+Na]+ 254.994998 153.7
[M-H]- 230.998504 146.5
[M+NH4]+ 250.039603 162.7
[M+K]+ 270.968938 149.0
[M+H-H2O]+ 215.003040 139.3
[M+HCOO]- 277.003981 157.1
[M+CH3COO]- 291.019631 190.3
[M+Na-2H]- 252.980446 146.2
[M]+ 232.00523142 148.8
[M]- 232.00632858 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