CID 94212

Brn 1952138

Structural Information

Molecular Formula
C10H16Cl2O4
SMILES
C(C#CCOCC(CCl)O)OCC(CCl)O
InChI
InChI=1S/C10H16Cl2O4/c11-5-9(13)7-15-3-1-2-4-16-8-10(14)6-12/h9-10,13-14H,3-8H2
InChIKey
FPNVDCLFXCGXLH-UHFFFAOYSA-N
Compound name
1-chloro-3-[4-(3-chloro-2-hydroxypropoxy)but-2-ynoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

270.04257 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.04985 150.4
[M+Na]+ 293.03179 159.0
[M-H]- 269.03529 147.2
[M+NH4]+ 288.07639 165.4
[M+K]+ 309.00573 154.1
[M+H-H2O]+ 253.03983 142.0
[M+HCOO]- 315.04077 156.1
[M+CH3COO]- 329.05642 196.3
[M+Na-2H]- 291.01724 151.5
[M]+ 270.04202 150.4
[M]- 270.04312 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

No literature data available for this compound.

Patent stripe

patents stripe