CID 6913890

132767-86-3

Structural Information

Molecular Formula

C₁₆H₃₅OPS

SMILES

CC(CC(C)(C)C)CP(=S)(CC(C)CC(C)(C)C)O

InChI

InChI=1S/C16H35OPS/c1-13(9-15(3,4)5)11-18(17,19)12-14(2)10-16(6,7)8/h13-14H,9-12H2,1-8H3,(H,17,19)

InChIKey

KUYLHALFMPOMKK-UHFFFAOYSA-N

Compound name

hydroxy-sulfanylidene-bis(2,4,4-trimethylpentyl)-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 415
Patents: 306.21463 Da
Monoisotopic Mass: 6.4
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]+	307.22191	180.8
[M+Na]+	329.20385	183.9
[M-H]-	305.20735	177.8
[M+NH4]+	324.24845	196.8
[M+K]+	345.17779	181.3
[M+H-H2O]+	289.21189	173.8
[M+HCOO]-	351.21283	193.9
[M+CH3COO]-	365.22848	207.9
[M+Na-2H]-	327.18930	176.6
[M]+	306.21408	185.2
[M]-	306.21518	185.2

Literature stripe

literature stripe

Patent stripe

patents stripe