CID 197971

Dimex

Structural Information

Molecular Formula
C11H12NO4PS
SMILES
COP(=S)(OC)OC1=NOC(=C1)C2=CC=CC=C2
InChI
InChI=1S/C11H12NO4PS/c1-13-17(18,14-2)16-11-8-10(15-12-11)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey
JVHAISKAWIKKGT-UHFFFAOYSA-N
Compound name
dimethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

285.02246 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.02974 159.6
[M+Na]+ 308.01168 168.2
[M-H]- 284.01518 165.3
[M+NH4]+ 303.05628 175.5
[M+K]+ 323.98562 167.6
[M+H-H2O]+ 268.01972 150.3
[M+HCOO]- 330.02066 183.7
[M+CH3COO]- 344.03631 195.1
[M+Na-2H]- 305.99713 161.1
[M]+ 285.02191 167.2
[M]- 285.02301 167.2
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

patents stripe