CID 109316

1-chloro-3-tridecyloxy-2-propanol

Structural Information

Molecular Formula
C16H33ClO2
SMILES
CCCCCCCCCCCCCOCC(CCl)O
InChI
InChI=1S/C16H33ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-15-16(18)14-17/h16,18H,2-15H2,1H3
InChIKey
KRJPINKFDNZHTL-UHFFFAOYSA-N
Compound name
1-chloro-3-tridecoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

292.21692 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.22420 176.9
[M+Na]+ 315.20614 180.1
[M-H]- 291.20964 173.8
[M+NH4]+ 310.25074 192.8
[M+K]+ 331.18008 175.5
[M+H-H2O]+ 275.21418 171.5
[M+HCOO]- 337.21512 190.9
[M+CH3COO]- 351.23077 203.0
[M+Na-2H]- 313.19159 176.4
[M]+ 292.21637 184.1
[M]- 292.21747 184.1
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