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

2
Patents

305.09476 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.10204 170.9
[M+Na]+ 328.08398 178.8
[M-H]- 304.08748 173.8
[M+NH4]+ 323.12858 187.7
[M+K]+ 344.05792 175.7
[M+H-H2O]+ 288.09202 163.6
[M+HCOO]- 350.09296 193.4
[M+CH3COO]- 364.10861 207.4
[M+Na-2H]- 326.06943 173.8
[M]+ 305.09421 178.3
[M]- 305.09531 178.3
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

patents stripe