CID 3551479

4-(3-chloropropoxy)-benzaldehyde

Structural Information

Molecular Formula
C10H11ClO2
SMILES
C1=CC(=CC=C1C=O)OCCCCl
InChI
InChI=1S/C10H11ClO2/c11-6-1-7-13-10-4-2-9(8-12)3-5-10/h2-5,8H,1,6-7H2
InChIKey
CKGQJZWAOFNWQT-UHFFFAOYSA-N
Compound name
4-(3-chloropropoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

198.04475 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05203 138.9
[M+Na]+ 221.03397 147.9
[M-H]- 197.03747 142.5
[M+NH4]+ 216.07857 159.3
[M+K]+ 237.00791 144.2
[M+H-H2O]+ 181.04201 134.0
[M+HCOO]- 243.04295 159.3
[M+CH3COO]- 257.05860 182.5
[M+Na-2H]- 219.01942 145.5
[M]+ 198.04420 143.8
[M]- 198.04530 143.8
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