CID 80003

Narlene

Structural Information

Molecular Formula
C11H17ClNO2PS
SMILES
CC(C)(C)C1=CC(=C(C=C1)OP(=S)(N)OC)Cl
InChI
InChI=1S/C11H17ClNO2PS/c1-11(2,3)8-5-6-10(9(12)7-8)15-16(13,17)14-4/h5-7H,1-4H3,(H2,13,17)
InChIKey
HAJQRNZSYDJREE-UHFFFAOYSA-N
Compound name
1-[amino(methoxy)phosphinothioyl]oxy-4-tert-butyl-2-chlorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

293.04062 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.04790 163.2
[M+Na]+ 316.02984 171.7
[M-H]- 292.03334 166.0
[M+NH4]+ 311.07444 180.8
[M+K]+ 332.00378 167.3
[M+H-H2O]+ 276.03788 156.2
[M+HCOO]- 338.03882 180.7
[M+CH3COO]- 352.05447 201.7
[M+Na-2H]- 314.01529 163.3
[M]+ 293.04007 169.0
[M]- 293.04117 169.0
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