CID 67599

328-04-1

Structural Information

Molecular Formula
C11H15ClNO4PS
SMILES
CCP(=S)(OC1=C(C=C(C=C1)[N+](=O)[O-])Cl)OC(C)C
InChI
InChI=1S/C11H15ClNO4PS/c1-4-18(19,16-8(2)3)17-11-6-5-9(13(14)15)7-10(11)12/h5-8H,4H2,1-3H3
InChIKey
QINWTFKFPMRNJP-UHFFFAOYSA-N
Compound name
(2-chloro-4-nitrophenoxy)-ethyl-propan-2-yloxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

186
Patents

323.0148 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.02208 163.7
[M+Na]+ 346.00402 175.1
[M+NH4]+ 341.04862 170.5
[M+K]+ 361.97796 171.0
[M-H]- 322.00752 165.1
[M+Na-2H]- 343.98947 167.6
[M]+ 323.01425 166.2
[M]- 323.01535 166.2
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