CID 3038082

16655-69-9

Structural Information

Molecular Formula
C6H11ClNO5P
SMILES
C/C(=C(\C(=O)N)/Cl)/OP(=O)(OC)OC
InChI
InChI=1S/C6H11ClNO5P/c1-4(5(7)6(8)9)13-14(10,11-2)12-3/h1-3H3,(H2,8,9)/b5-4-
InChIKey
HXMZBWWTYKUSRI-PLNGDYQASA-N
Compound name
[(Z)-4-amino-3-chloro-4-oxobut-2-en-2-yl] dimethyl phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

243.00633 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.01361 146.4
[M+Na]+ 265.99555 153.7
[M-H]- 241.99905 145.6
[M+NH4]+ 261.04015 164.7
[M+K]+ 281.96949 153.2
[M+H-H2O]+ 226.00359 140.7
[M+HCOO]- 288.00453 168.8
[M+CH3COO]- 302.02018 191.6
[M+Na-2H]- 263.98100 146.7
[M]+ 243.00578 152.2
[M]- 243.00688 152.2
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.