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

17
Patents

162.04475 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.052026 126.9
[M+Na]+ 185.033968 137.2
[M-H]- 161.037474 126.7
[M+NH4]+ 180.078573 146.6
[M+K]+ 201.007908 134.3
[M+H-H2O]+ 145.042010 117.4
[M+HCOO]- 207.042951 141.6
[M+CH3COO]- 221.058601 185.1
[M+Na-2H]- 183.019416 133.1
[M]+ 162.04420142 127.1
[M]- 162.04529858 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