CID 12575695

2-chloro-3-methoxybenzaldehyde

Structural Information

Molecular Formula
C8H7ClO2
SMILES
COC1=CC=CC(=C1Cl)C=O
InChI
InChI=1S/C8H7ClO2/c1-11-7-4-2-3-6(5-10)8(7)9/h2-5H,1H3
InChIKey
XKLMLKSXPIITAL-UHFFFAOYSA-N
Compound name
2-chloro-3-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

397
Patents

170.01346 Da
Monoisotopic Mass

1.8
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

literature stripe

Patent stripe

patents stripe