CID 111345

2-propanol, 1-chloro-3-(isooctyloxy)-

Structural Information

Molecular Formula
C11H23ClO2
SMILES
CC(C)CCCCCOCC(CCl)O
InChI
InChI=1S/C11H23ClO2/c1-10(2)6-4-3-5-7-14-9-11(13)8-12/h10-11,13H,3-9H2,1-2H3
InChIKey
PCFYQRUHRDNYEH-UHFFFAOYSA-N
Compound name
1-chloro-3-(6-methylheptoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.13866 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.14594 154.3
[M+Na]+ 245.12788 159.4
[M-H]- 221.13138 152.3
[M+NH4]+ 240.17248 173.0
[M+K]+ 261.10182 156.5
[M+H-H2O]+ 205.13592 150.1
[M+HCOO]- 267.13686 169.0
[M+CH3COO]- 281.15251 189.0
[M+Na-2H]- 243.11333 155.3
[M]+ 222.13811 159.0
[M]- 222.13921 159.0
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.