CID 3046660

62484-96-2

Structural Information

Molecular Formula
C13H25ClNO3P
SMILES
CCCCCCOP(=O)(N1CCCC1)OCC(=C)Cl
InChI
InChI=1S/C13H25ClNO3P/c1-3-4-5-8-11-17-19(16,18-12-13(2)14)15-9-6-7-10-15/h2-12H2,1H3
InChIKey
FQYWTLOIIUNPAJ-UHFFFAOYSA-N
Compound name
1-[2-chloroprop-2-enoxy(hexoxy)phosphoryl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.12607 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.13335 175.6
[M+Na]+ 332.11529 179.8
[M-H]- 308.11879 175.1
[M+NH4]+ 327.15989 191.9
[M+K]+ 348.08923 176.6
[M+H-H2O]+ 292.12333 167.0
[M+HCOO]- 354.12427 194.2
[M+CH3COO]- 368.13992 202.9
[M+Na-2H]- 330.10074 173.1
[M]+ 309.12552 180.2
[M]- 309.12662 180.2
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

No patent data available for this compound.