CID 4770036

3-chloro-4-(prop-2-en-1-yloxy)benzaldehyde

Structural Information

Molecular Formula
C10H9ClO2
SMILES
C=CCOC1=C(C=C(C=C1)C=O)Cl
InChI
InChI=1S/C10H9ClO2/c1-2-5-13-10-4-3-8(7-12)6-9(10)11/h2-4,6-7H,1,5H2
InChIKey
KMFXGBKTGDWRTF-UHFFFAOYSA-N
Compound name
3-chloro-4-prop-2-enoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

196.02911 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.03639 136.8
[M+Na]+ 219.01833 147.1
[M-H]- 195.02183 140.9
[M+NH4]+ 214.06293 157.6
[M+K]+ 234.99227 142.8
[M+H-H2O]+ 179.02637 132.3
[M+HCOO]- 241.02731 157.4
[M+CH3COO]- 255.04296 182.7
[M+Na-2H]- 217.00378 142.9
[M]+ 196.02856 141.4
[M]- 196.02966 141.4
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