CID 100920

58995-43-0

Structural Information

Molecular Formula
C12H14NO2PS
SMILES
CCOP(=S)(C)OC1=CC2=C(C=C1)N=CC=C2
InChI
InChI=1S/C12H14NO2PS/c1-3-14-16(2,17)15-11-6-7-12-10(9-11)5-4-8-13-12/h4-9H,3H2,1-2H3
InChIKey
CNVMYWKLVZLEKV-UHFFFAOYSA-N
Compound name
ethoxy-methyl-quinolin-6-yloxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.04828 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.05556 157.1
[M+Na]+ 290.03750 165.5
[M-H]- 266.04100 159.2
[M+NH4]+ 285.08210 174.5
[M+K]+ 306.01144 162.1
[M+H-H2O]+ 250.04554 147.8
[M+HCOO]- 312.04648 178.7
[M+CH3COO]- 326.06213 195.9
[M+Na-2H]- 288.02295 160.2
[M]+ 267.04773 162.5
[M]- 267.04883 162.5
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.