CID 171118142

6-chloro-20-methyl-4-heneicosenoic acid

Structural Information

Molecular Formula
C22H41ClO2
SMILES
CC(C)CCCCCCCCCCCCCC(C=CCCC(=O)O)Cl
InChI
InChI=1S/C22H41ClO2/c1-20(2)16-12-10-8-6-4-3-5-7-9-11-13-17-21(23)18-14-15-19-22(24)25/h14,18,20-21H,3-13,15-17,19H2,1-2H3,(H,24,25)
InChIKey
FFZCOHMEGKRJMY-UHFFFAOYSA-N
Compound name
6-chloro-20-methylhenicos-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.2795 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.28678 201.8
[M+Na]+ 395.26872 202.8
[M-H]- 371.27222 198.0
[M+NH4]+ 390.31332 214.3
[M+K]+ 411.24266 196.3
[M+H-H2O]+ 355.27676 195.8
[M+HCOO]- 417.27770 212.4
[M+CH3COO]- 431.29335 219.9
[M+Na-2H]- 393.25417 195.8
[M]+ 372.27895 208.6
[M]- 372.28005 208.6
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

No patent data available for this compound.