CID 10242032

2,6-dichloro-4-hydroxymethylbenzaldehyde

Structural Information

Molecular Formula
C8H6Cl2O2
SMILES
C1=C(C=C(C(=C1Cl)C=O)Cl)CO
InChI
InChI=1S/C8H6Cl2O2/c9-7-1-5(3-11)2-8(10)6(7)4-12/h1-2,4,11H,3H2
InChIKey
PLSBLWXOKQLJFA-UHFFFAOYSA-N
Compound name
2,6-dichloro-4-(hydroxymethyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

203.97449 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.981766 134.5
[M+Na]+ 226.963708 146.1
[M-H]- 202.967214 137.1
[M+NH4]+ 222.008313 154.9
[M+K]+ 242.937648 140.6
[M+H-H2O]+ 186.971750 131.6
[M+HCOO]- 248.972691 148.9
[M+CH3COO]- 262.988341 180.9
[M+Na-2H]- 224.949156 139.6
[M]+ 203.97394142 138.5
[M]- 203.97503858 138.5
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