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 164.3
[M+Na]+ 346.00402 171.0
[M-H]- 322.00752 167.5
[M+NH4]+ 341.04862 179.9
[M+K]+ 361.97796 163.6
[M+H-H2O]+ 306.01206 161.6
[M+HCOO]- 368.01300 183.1
[M+CH3COO]- 382.02865 199.3
[M+Na-2H]- 343.98947 165.9
[M]+ 323.01425 170.2
[M]- 323.01535 170.2
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