CID 253511

Nsc76507

Structural Information

Molecular Formula
C19H20ClO3P
SMILES
C1C2CC(CC1OP(=O)(O2)C(C3=CC=CC=C3)C4=CC=CC=C4)Cl
InChI
InChI=1S/C19H20ClO3P/c20-16-11-17-13-18(12-16)23-24(21,22-17)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-19H,11-13H2
InChIKey
FDFMNOCBHFDPCN-UHFFFAOYSA-N
Compound name
3-benzhydryl-7-chloro-2,4-dioxa-3lambda5-phosphabicyclo[3.3.1]nonane 3-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.08386 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.09114 184.6
[M+Na]+ 385.07308 190.0
[M-H]- 361.07658 192.5
[M+NH4]+ 380.11768 198.3
[M+K]+ 401.04702 187.1
[M+H-H2O]+ 345.08112 173.5
[M+HCOO]- 407.08206 199.1
[M+CH3COO]- 421.09771 194.0
[M+Na-2H]- 383.05853 185.9
[M]+ 362.08331 184.4
[M]- 362.08441 184.4
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.