CID 9863244

Phosphoric acid, isooctadecyl ester

Structural Information

Molecular Formula

C₁₈H₃₉O₄P

SMILES

CC(C)CCCCCCCCCCCCCCCOP(=O)(O)O

InChI

InChI=1S/C18H39O4P/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-22-23(19,20)21/h18H,3-17H2,1-2H3,(H2,19,20,21)

InChIKey

SUQPHYAFSSXBNB-UHFFFAOYSA-N

Compound name

16-methylheptadecyl dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 733
Patents: 350.2586 Da
Monoisotopic Mass: 7.0
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]+	351.26588	199.3
[M+Na]+	373.24782	200.5
[M-H]-	349.25132	193.4
[M+NH4]+	368.29242	190.5
[M+K]+	389.22176	197.4
[M+H-H2O]+	333.25586	190.6
[M+HCOO]-	395.25680	204.9
[M+CH3COO]-	409.27245	213.2
[M+Na-2H]-	371.23327	195.0
[M]+	350.25805	206.9
[M]-	350.25915	206.9

Literature stripe

literature stripe

Patent stripe

patents stripe