CID 96914

73713-82-3

Structural Information

Molecular Formula
C14H14NO2PS
SMILES
CC1=CC=C(C=C1)OP2(=O)N(C3=CC=CC=C3S2)C
InChI
InChI=1S/C14H14NO2PS/c1-11-7-9-12(10-8-11)17-18(16)15(2)13-5-3-4-6-14(13)19-18/h3-10H,1-2H3
InChIKey
LAFKFTRWYOENHB-UHFFFAOYSA-N
Compound name
3-methyl-2-(4-methylphenoxy)-1,3,2lambda5-benzothiazaphosphole 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.04828 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.05556 159.5
[M+Na]+ 314.03750 169.8
[M-H]- 290.04100 165.6
[M+NH4]+ 309.08210 179.9
[M+K]+ 330.01144 165.9
[M+H-H2O]+ 274.04554 150.4
[M+HCOO]- 336.04648 182.9
[M+CH3COO]- 350.06213 199.3
[M+Na-2H]- 312.02295 159.6
[M]+ 291.04773 164.1
[M]- 291.04883 164.1
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

No patent data available for this compound.