CID 3060712

B 738

Structural Information

Molecular Formula
C13H23Cl2N2O2P
SMILES
C1CC2CC1CC2N3CCOP3(=O)N(CCCl)CCCl
InChI
InChI=1S/C13H23Cl2N2O2P/c14-3-5-16(6-4-15)20(18)17(7-8-19-20)13-10-11-1-2-12(13)9-11/h11-13H,1-10H2
InChIKey
SUYNGUXHMZZVCF-UHFFFAOYSA-N
Compound name
3-(2-bicyclo[2.2.1]heptanyl)-N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphospholidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.08743 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.09471 180.4
[M+Na]+ 363.07665 186.0
[M-H]- 339.08015 184.4
[M+NH4]+ 358.12125 201.6
[M+K]+ 379.05059 182.7
[M+H-H2O]+ 323.08469 173.2
[M+HCOO]- 385.08563 194.5
[M+CH3COO]- 399.10128 210.8
[M+Na-2H]- 361.06210 175.6
[M]+ 340.08688 183.2
[M]- 340.08798 183.2
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

No patent data available for this compound.