CID 53861617

2-chlorooctadecanal

Structural Information

Molecular Formula
C18H35ClO
SMILES
CCCCCCCCCCCCCCCCC(C=O)Cl
InChI
InChI=1S/C18H35ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(19)17-20/h17-18H,2-16H2,1H3
InChIKey
GNHIIABOYVKCMU-UHFFFAOYSA-N
Compound name
2-chlorooctadecanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

302.23764 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.24492 181.5
[M+Na]+ 325.22686 184.7
[M-H]- 301.23036 179.6
[M+NH4]+ 320.27146 197.7
[M+K]+ 341.20080 179.3
[M+H-H2O]+ 285.23490 175.8
[M+HCOO]- 347.23584 196.3
[M+CH3COO]- 361.25149 209.0
[M+Na-2H]- 323.21231 180.5
[M]+ 302.23709 189.3
[M]- 302.23819 189.3
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