CID 120437

Bayer 55937

Structural Information

Molecular Formula
C8H12FN2O3PS
SMILES
CC1=CC(=NC(=N1)CF)OP(=S)(OC)OC
InChI
InChI=1S/C8H12FN2O3PS/c1-6-4-8(11-7(5-9)10-6)14-15(16,12-2)13-3/h4H,5H2,1-3H3
InChIKey
CWTAQPHQDNPAAO-UHFFFAOYSA-N
Compound name
[2-(fluoromethyl)-6-methylpyrimidin-4-yl]oxy-dimethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.02902 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.03630 153.0
[M+Na]+ 289.01824 162.2
[M-H]- 265.02174 152.1
[M+NH4]+ 284.06284 168.3
[M+K]+ 304.99218 160.2
[M+H-H2O]+ 249.02628 142.5
[M+HCOO]- 311.02722 173.7
[M+CH3COO]- 325.04287 195.0
[M+Na-2H]- 287.00369 153.6
[M]+ 266.02847 159.2
[M]- 266.02957 159.2
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.