CID 3718356

5-chloro-2-methoxybenzaldehyde

Structural Information

Molecular Formula
C8H7ClO2
SMILES
COC1=C(C=C(C=C1)Cl)C=O
InChI
InChI=1S/C8H7ClO2/c1-11-8-3-2-7(9)4-6(8)5-10/h2-5H,1H3
InChIKey
HXTWDGGMXZXOIV-UHFFFAOYSA-N
Compound name
5-chloro-2-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

342
Patents

170.01346 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.02074 129.3
[M+Na]+ 193.00268 144.3
[M+NH4]+ 188.04728 138.7
[M+K]+ 208.97662 137.0
[M-H]- 169.00618 131.7
[M+Na-2H]- 190.98813 137.2
[M]+ 170.01291 132.5
[M]- 170.01401 132.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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