CID 3060724

B 784

Structural Information

Molecular Formula
C11H23Cl2N2O2P
SMILES
CC1CC(OP(=O)(N1)N(CCCl)CCCl)C(C)C
InChI
InChI=1S/C11H23Cl2N2O2P/c1-9(2)11-8-10(3)14-18(16,17-11)15(6-4-12)7-5-13/h9-11H,4-8H2,1-3H3,(H,14,16)
InChIKey
SCFSMSGWLKGTMN-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-4-methyl-2-oxo-6-propan-2-yl-1,3,2lambda5-oxazaphosphinan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.08743 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.09471 169.1
[M+Na]+ 339.07665 174.8
[M-H]- 315.08015 169.6
[M+NH4]+ 334.12125 184.8
[M+K]+ 355.05059 172.0
[M+H-H2O]+ 299.08469 162.4
[M+HCOO]- 361.08563 181.7
[M+CH3COO]- 375.10128 207.8
[M+Na-2H]- 337.06210 167.4
[M]+ 316.08688 172.1
[M]- 316.08798 172.1
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

No patent data available for this compound.