CID 6438105

Ciba c-768

Structural Information

Molecular Formula
C7H13ClNO5P
SMILES
C/C(=C\C(=O)NCOP(=O)(OC)OC)/Cl
InChI
InChI=1S/C7H13ClNO5P/c1-6(8)4-7(10)9-5-14-15(11,12-2)13-3/h4H,5H2,1-3H3,(H,9,10)/b6-4+
InChIKey
ISVQLTLOWMKMRM-GQCTYLIASA-N
Compound name
[[(E)-3-chlorobut-2-enoyl]amino]methyl dimethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.02197 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.02925 152.4
[M+Na]+ 280.01119 159.3
[M+NH4]+ 275.05579 156.6
[M+K]+ 295.98513 157.0
[M-H]- 256.01469 148.3
[M+Na-2H]- 277.99664 152.7
[M]+ 257.02142 151.8
[M]- 257.02252 151.8
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.