CID 98420

B 506

Structural Information

Molecular Formula
C7H15Cl2N2O2P
SMILES
CC1CNP(=O)(O1)N(CCCl)CCCl
InChI
InChI=1S/C7H15Cl2N2O2P/c1-7-6-10-14(12,13-7)11(4-2-8)5-3-9/h7H,2-6H2,1H3,(H,10,12)
InChIKey
QOFSLGSIIWFEPT-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-5-methyl-2-oxo-1,3,2lambda5-oxazaphospholidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

260.0248 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.03208 152.7
[M+Na]+ 283.01402 160.1
[M-H]- 259.01752 153.5
[M+NH4]+ 278.05862 172.0
[M+K]+ 298.98796 157.4
[M+H-H2O]+ 243.02206 146.3
[M+HCOO]- 305.02300 169.4
[M+CH3COO]- 319.03865 193.6
[M+Na-2H]- 280.99947 153.5
[M]+ 260.02425 156.1
[M]- 260.02535 156.1
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