CID 9554809

Perfosfamide

Structural Information

Molecular Formula

C₇H₁₅Cl₂N₂O₄P

SMILES

C1CO[P@](=O)(N[C@@H]1OO)N(CCCl)CCCl

InChI

InChI=1S/C7H15Cl2N2O4P/c8-2-4-11(5-3-9)16(13)10-7(15-12)1-6-14-16/h7,12H,1-6H2,(H,10,13)/t7-,16-/m1/s1

InChIKey

VPAWVRUHMJVRHU-VGDKGRGNSA-N

Compound name

(2R,4R)-N,N-bis(2-chloroethyl)-4-hydroperoxy-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 348
References: 16427
Patents: 292.01465 Da
Monoisotopic Mass: 0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	293.021926	154.8
[M+Na]+	315.003868	160.9
[M-H]-	291.007374	154.3
[M+NH4]+	310.048473	170.4
[M+K]+	330.977808	158.9
[M+H-H2O]+	275.011910	148.5
[M+HCOO]-	337.012851	168.8
[M+CH3COO]-	351.028501	195.8
[M+Na-2H]-	312.989316	157.1
[M]+	292.01410142	157.7
[M]-	292.01519858	157.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe