CID 3019406

83846-76-8

Structural Information

Molecular Formula
C13H15ClO2
SMILES
CCCC(=C(C1=CC=C(C=C1)OC)Cl)C=O
InChI
InChI=1S/C13H15ClO2/c1-3-4-11(9-15)13(14)10-5-7-12(16-2)8-6-10/h5-9H,3-4H2,1-2H3
InChIKey
KZPCSONSSYBYMY-UHFFFAOYSA-N
Compound name
2-[chloro-(4-methoxyphenyl)methylidene]pentanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.07605 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.083326 151.8
[M+Na]+ 261.065268 159.4
[M-H]- 237.068774 155.1
[M+NH4]+ 256.109873 170.5
[M+K]+ 277.039208 155.2
[M+H-H2O]+ 221.073310 146.6
[M+HCOO]- 283.074251 169.4
[M+CH3COO]- 297.089901 191.6
[M+Na-2H]- 259.050716 154.3
[M]+ 238.07550142 155.8
[M]- 238.07659858 155.8
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

No patent data available for this compound.