CID 29000

18268-76-3

Structural Information

Molecular Formula
C8H7ClO3
SMILES
COC1=C(C=C(C(=C1)C=O)Cl)O
InChI
InChI=1S/C8H7ClO3/c1-12-8-2-5(4-10)6(9)3-7(8)11/h2-4,11H,1H3
InChIKey
ZOKLABLCKDZYOP-UHFFFAOYSA-N
Compound name
2-chloro-4-hydroxy-5-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

186.00838 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.01566 132.5
[M+Na]+ 208.99760 146.8
[M+NH4]+ 204.04220 140.9
[M+K]+ 224.97154 140.6
[M-H]- 185.00110 133.9
[M+Na-2H]- 206.98305 139.1
[M]+ 186.00783 135.2
[M]- 186.00893 135.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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