CID 123526

10-chloro-1-decanol

Structural Information

Molecular Formula
C10H21ClO
SMILES
C(CCCCCCl)CCCCO
InChI
InChI=1S/C10H21ClO/c11-9-7-5-3-1-2-4-6-8-10-12/h12H,1-10H2
InChIKey
OTUSESJECXGMIV-UHFFFAOYSA-N
Compound name
10-chlorodecan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

262
Patents

192.1281 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.13538 146.3
[M+Na]+ 215.11732 152.2
[M-H]- 191.12082 144.3
[M+NH4]+ 210.16192 166.3
[M+K]+ 231.09126 148.3
[M+H-H2O]+ 175.12536 142.3
[M+HCOO]- 237.12630 163.0
[M+CH3COO]- 251.14195 182.5
[M+Na-2H]- 213.10277 150.3
[M]+ 192.12755 150.4
[M]- 192.12865 150.4
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