CID 13865115

4-chloro-2-methoxybenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

216
Patents

170.01346 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.020736 128.6
[M+Na]+ 193.002678 139.5
[M-H]- 169.006184 133.0
[M+NH4]+ 188.047283 150.5
[M+K]+ 208.976618 136.3
[M+H-H2O]+ 153.010720 124.5
[M+HCOO]- 215.011661 149.7
[M+CH3COO]- 229.027311 177.6
[M+Na-2H]- 190.988126 135.8
[M]+ 170.01291142 133.2
[M]- 170.01400858 133.2
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

patents stripe