CID 6507134

Brn 2999646

Structural Information

Molecular Formula
C14H19N2O3PS
SMILES
CC(C)OP(=S)(OC(C)C)O/N=C(/C#N)\C1=CC=CC=C1
InChI
InChI=1S/C14H19N2O3PS/c1-11(2)17-20(21,18-12(3)4)19-16-14(10-15)13-8-6-5-7-9-13/h5-9,11-12H,1-4H3/b16-14-
InChIKey
NSXXBBVTFPIQMZ-PEZBUJJGSA-N
Compound name
(E)-N-di(propan-2-yloxy)phosphinothioyloxybenzenecarboximidoyl cyanide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.0854 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.09268 175.0
[M+Na]+ 349.07462 181.3
[M-H]- 325.07812 178.2
[M+NH4]+ 344.11922 188.6
[M+K]+ 365.04856 180.1
[M+H-H2O]+ 309.08266 159.3
[M+HCOO]- 371.08360 193.4
[M+CH3COO]- 385.09925 221.1
[M+Na-2H]- 347.06007 173.0
[M]+ 326.08485 175.7
[M]- 326.08595 175.7
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

No patent data available for this compound.