CID 13770916

97139-32-7

Structural Information

Molecular Formula
C14H20Cl2FN4O4P
SMILES
C1COP(=O)(NC1N(C(=O)NC2=CC=C(C=C2)F)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)18-12-3-1-11(17)2-4-12/h1-4,13,23H,5-10H2,(H,18,22)(H,19,24)
InChIKey
FYVFHXVSKZRSMB-UHFFFAOYSA-N
Compound name
1-[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda5-oxazaphosphinan-4-yl]-3-(4-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 188.4
[M+Na]+ 451.04754 192.3
[M-H]- 427.05104 190.8
[M+NH4]+ 446.09214 198.2
[M+K]+ 467.02148 189.9
[M+H-H2O]+ 411.05558 178.7
[M+HCOO]- 473.05652 202.4
[M+CH3COO]- 487.07217 228.4
[M+Na-2H]- 449.03299 187.5
[M]+ 428.05777 189.6
[M]- 428.05887 189.6
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.