CID 678546

4-(dichloromethyl)-2,3,5,6-tetramethylbenzaldehyde

Structural Information

Molecular Formula
C12H14Cl2O
SMILES
CC1=C(C(=C(C(=C1C=O)C)C)C(Cl)Cl)C
InChI
InChI=1S/C12H14Cl2O/c1-6-8(3)11(12(13)14)9(4)7(2)10(6)5-15/h5,12H,1-4H3
InChIKey
IBYGLWWBFPWRRH-UHFFFAOYSA-N
Compound name
4-(dichloromethyl)-2,3,5,6-tetramethylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.04218 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.04946 147.1
[M+Na]+ 267.03140 159.1
[M-H]- 243.03490 151.3
[M+NH4]+ 262.07600 167.3
[M+K]+ 283.00534 153.6
[M+H-H2O]+ 227.03944 144.1
[M+HCOO]- 289.04038 160.6
[M+CH3COO]- 303.05603 196.6
[M+Na-2H]- 265.01685 148.2
[M]+ 244.04163 153.2
[M]- 244.04273 153.2
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

No patent data available for this compound.