CID 245179

7597-42-4

Structural Information

Molecular Formula
C18H15N2OP
SMILES
C1=CC=C(C=C1)N2C3=CC=CC=C3NP2(=O)C4=CC=CC=C4
InChI
InChI=1S/C18H15N2OP/c21-22(16-11-5-2-6-12-16)19-17-13-7-8-14-18(17)20(22)15-9-3-1-4-10-15/h1-14H,(H,19,21)
InChIKey
ZLDMLVHFHLRQIF-UHFFFAOYSA-N
Compound name
2,3-diphenyl-1H-1,3,2lambda5-benzodiazaphosphole 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

306.0922 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.09948 171.3
[M+Na]+ 329.08142 179.3
[M-H]- 305.08492 176.9
[M+NH4]+ 324.12602 187.1
[M+K]+ 345.05536 172.6
[M+H-H2O]+ 289.08946 158.8
[M+HCOO]- 351.09040 195.7
[M+CH3COO]- 365.10605 181.9
[M+Na-2H]- 327.06687 172.9
[M]+ 306.09165 168.5
[M]- 306.09275 168.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.