CID 20530

Cytoxal alcohol

Structural Information

Molecular Formula
C7H17Cl2N2O3P
SMILES
C(CNP(=O)(N(CCCl)CCCl)O)CO
InChI
InChI=1S/C7H17Cl2N2O3P/c8-2-5-11(6-3-9)15(13,14)10-4-1-7-12/h12H,1-7H2,(H2,10,13,14)
InChIKey
FYMCFKPEIMXMOB-UHFFFAOYSA-N
Compound name
bis(2-chloroethyl)amino-(3-hydroxypropylamino)phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

278.03537 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.042646 159.2
[M+Na]+ 301.024588 165.0
[M-H]- 277.028094 156.5
[M+NH4]+ 296.069193 176.0
[M+K]+ 316.998528 161.1
[M+H-H2O]+ 261.032630 153.8
[M+HCOO]- 323.033571 177.3
[M+CH3COO]- 337.049221 199.0
[M+Na-2H]- 299.010036 160.9
[M]+ 278.03482142 164.2
[M]- 278.03591858 164.2
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

patents stripe