CID 13770917

97139-33-8

Structural Information

Molecular Formula
C14H20Cl2FN4O4P
SMILES
C1COP(=O)(NC1N(C(=O)NC2=CC=CC=C2F)O)N(CCCl)CCCl
InChI
InChI=1S/C14H20Cl2FN4O4P/c15-6-8-20(9-7-16)26(24)19-13(5-10-25-26)21(23)14(22)18-12-4-2-1-3-11(12)17/h1-4,13,23H,5-10H2,(H,18,22)(H,19,24)
InChIKey
IJKDIAPVRQIDPM-UHFFFAOYSA-N
Compound name
1-[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda5-oxazaphosphinan-4-yl]-3-(2-fluorophenyl)-1-hydroxyurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.05832 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.06560 187.0
[M+Na]+ 451.04754 193.8
[M+NH4]+ 446.09214 192.0
[M+K]+ 467.02148 188.6
[M-H]- 427.05104 188.3
[M+Na-2H]- 449.03299 190.8
[M]+ 428.05777 188.3
[M]- 428.05887 188.3
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.