CID 2306611

82409-33-4

Structural Information

Molecular Formula
C14H15N2P
SMILES
C1NC2=CC=CC=C2NCP1C3=CC=CC=C3
InChI
InChI=1S/C14H15N2P/c1-2-6-12(7-3-1)17-10-15-13-8-4-5-9-14(13)16-11-17/h1-9,15-16H,10-11H2
InChIKey
FLBYLAFBYGBMTE-UHFFFAOYSA-N
Compound name
3-phenyl-1,2,4,5-tetrahydro-1,5,3-benzodiazaphosphepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.09729 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.10457 156.6
[M+Na]+ 265.08651 160.8
[M-H]- 241.09001 158.0
[M+NH4]+ 260.13111 170.0
[M+K]+ 281.06045 158.9
[M+H-H2O]+ 225.09455 146.5
[M+HCOO]- 287.09549 176.4
[M+CH3COO]- 301.11114 165.7
[M+Na-2H]- 263.07196 159.1
[M]+ 242.09674 147.4
[M]- 242.09784 147.4
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.