CID 78244

4492-96-0

Structural Information

Molecular Formula

C₁₃H₂₁ClNO₃P

SMILES

CCC(C)(C)C1=CC(=C(C=C1)OP(=O)(NC)OC)Cl

InChI

InChI=1S/C13H21ClNO3P/c1-6-13(2,3)10-7-8-12(11(14)9-10)18-19(16,15-4)17-5/h7-9H,6H2,1-5H3,(H,15,16)

InChIKey

QSXWTGFXQDSZDO-UHFFFAOYSA-N

Compound name

N-[[2-chloro-4-(2-methylbutan-2-yl)phenoxy]-methoxyphosphoryl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 305.09476 Da
Monoisotopic Mass: 4.0
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]+	306.102036	170.9
[M+Na]+	328.083978	178.8
[M-H]-	304.087484	173.8
[M+NH4]+	323.128583	187.7
[M+K]+	344.057918	175.7
[M+H-H2O]+	288.092020	163.6
[M+HCOO]-	350.092961	193.4
[M+CH3COO]-	364.108611	207.4
[M+Na-2H]-	326.069426	173.8
[M]+	305.09421142	178.3
[M]-	305.09530858	178.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe