CID 21904633

3-chloro-5-methoxybenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

240
Patents

170.01346 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.02074 128.6
[M+Na]+ 193.00268 139.5
[M-H]- 169.00618 133.0
[M+NH4]+ 188.04728 150.5
[M+K]+ 208.97662 136.3
[M+H-H2O]+ 153.01072 124.5
[M+HCOO]- 215.01166 149.7
[M+CH3COO]- 229.02731 177.6
[M+Na-2H]- 190.98813 135.8
[M]+ 170.01291 133.2
[M]- 170.01401 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