CID 10943314

Diethyl 2-butenylphosphonate, predominantly trans

Structural Information

Molecular Formula
C8H17O3P
SMILES
CCOP(=O)(C/C=C/C)OCC
InChI
InChI=1S/C8H17O3P/c1-4-7-8-12(9,10-5-2)11-6-3/h4,7H,5-6,8H2,1-3H3/b7-4+
InChIKey
KGWLPYVMUWAOJC-QPJJXVBHSA-N
Compound name
(E)-1-diethoxyphosphorylbut-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

192.09154 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.09882 146.1
[M+Na]+ 215.08076 153.2
[M-H]- 191.08426 145.1
[M+NH4]+ 210.12536 166.6
[M+K]+ 231.05470 152.8
[M+H-H2O]+ 175.08880 139.4
[M+HCOO]- 237.08974 174.0
[M+CH3COO]- 251.10539 184.0
[M+Na-2H]- 213.06621 149.3
[M]+ 192.09099 152.4
[M]- 192.09209 152.4
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