CID 5380102

67292-31-3

Structural Information

Molecular Formula

C₁₇H₁₄P

SMILES

C1=CC=C(C=C1)P([C]2C=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C17H14P/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16/h1-14H

InChIKey

MIXNSZFGCWNEFM-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 249.08331 Da
Monoisotopic Mass: 4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	250.09059	159.4
[M+Na]+	272.07253	164.8
[M-H]-	248.07603	167.4
[M+NH4]+	267.11713	177.7
[M+K]+	288.04647	160.2
[M+H-H2O]+	232.08057	149.0
[M+HCOO]-	294.08151	188.7
[M+CH3COO]-	308.09716	171.5
[M+Na-2H]-	270.05798	159.6
[M]+	249.08276	157.8
[M]-	249.08386	157.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe