CID 56935809

16:0(9oh,10cl)

Structural Information

Molecular Formula
C16H31ClO3
SMILES
CCCCCCC(C(CCCCCCCC(=O)O)O)Cl
InChI
InChI=1S/C16H31ClO3/c1-2-3-4-8-11-14(17)15(18)12-9-6-5-7-10-13-16(19)20/h14-15,18H,2-13H2,1H3,(H,19,20)
InChIKey
ZVJSWTPSSQCNAZ-UHFFFAOYSA-N
Compound name
10-chloro-9-hydroxyhexadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

306.19617 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.20345 178.7
[M+Na]+ 329.18539 181.3
[M-H]- 305.18889 174.5
[M+NH4]+ 324.22999 193.1
[M+K]+ 345.15933 176.7
[M+H-H2O]+ 289.19343 173.8
[M+HCOO]- 351.19437 189.8
[M+CH3COO]- 365.21002 203.1
[M+Na-2H]- 327.17084 175.4
[M]+ 306.19562 183.6
[M]- 306.19672 183.6
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.