CID 3060720

B 792

Structural Information

Molecular Formula
C12H25Cl2N2O2P
SMILES
CCCC1C(C(NP(=O)(O1)N(CCCl)CCCl)C)C
InChI
InChI=1S/C12H25Cl2N2O2P/c1-4-5-12-10(2)11(3)15-19(17,18-12)16(8-6-13)9-7-14/h10-12H,4-9H2,1-3H3,(H,15,17)
InChIKey
QZSZEOYSBMTGPI-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-4,5-dimethyl-2-oxo-6-propyl-1,3,2lambda5-oxazaphosphinan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.10306 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.11034 173.5
[M+Na]+ 353.09228 180.0
[M-H]- 329.09578 174.1
[M+NH4]+ 348.13688 189.1
[M+K]+ 369.06622 176.5
[M+H-H2O]+ 313.10032 166.8
[M+HCOO]- 375.10126 186.8
[M+CH3COO]- 389.11691 211.1
[M+Na-2H]- 351.07773 171.9
[M]+ 330.10251 177.9
[M]- 330.10361 177.9
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.