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 166.3
[M+Na]+ 316.02984 176.7
[M+NH4]+ 311.07444 173.6
[M+K]+ 332.00378 169.8
[M-H]- 292.03334 166.9
[M+Na-2H]- 314.01529 170.4
[M]+ 293.04007 168.7
[M]- 293.04117 168.7
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