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 151.4
[M+Na]+ 280.01119 158.5
[M-H]- 256.01469 150.9
[M+NH4]+ 275.05579 169.6
[M+K]+ 295.98513 157.6
[M+H-H2O]+ 240.01923 145.3
[M+HCOO]- 302.02017 175.1
[M+CH3COO]- 316.03582 193.7
[M+Na-2H]- 277.99664 153.4
[M]+ 257.02142 159.1
[M]- 257.02252 159.1
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

No patent data available for this compound.