CID 55298328

313947-60-3

Structural Information

Molecular Formula
C7H11ClO2
SMILES
C#CCOCCOCCCl
InChI
InChI=1S/C7H11ClO2/c1-2-4-9-6-7-10-5-3-8/h1H,3-7H2
InChIKey
RXHGFGGCHAETOM-UHFFFAOYSA-N
Compound name
3-[2-(2-chloroethoxy)ethoxy]prop-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

162.04475 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.05203 126.9
[M+Na]+ 185.03397 137.2
[M-H]- 161.03747 126.7
[M+NH4]+ 180.07857 146.6
[M+K]+ 201.00791 134.3
[M+H-H2O]+ 145.04201 117.4
[M+HCOO]- 207.04295 141.6
[M+CH3COO]- 221.05860 185.1
[M+Na-2H]- 183.01942 133.1
[M]+ 162.04420 127.1
[M]- 162.04530 127.1
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