CID 12016397

2-[5-[(dichlorophosphoryl)amino]-1,2,4-thiadiazol-3-yl]-(z)-2-(ethoxyimino)acetyl chloride

Structural Information

Molecular Formula
C6H6Cl3N4O3PS
SMILES
CCO/N=C(/C1=NSC(=N1)NP(=O)(Cl)Cl)\C(=O)Cl
InChI
InChI=1S/C6H6Cl3N4O3PS/c1-2-16-11-3(4(7)14)5-10-6(18-13-5)12-17(8,9)15/h2H2,1H3,(H,10,12,13,15)/b11-3+
InChIKey
QZZOGRZCLZKNBM-QDEBKDIKSA-N
Compound name
(2Z)-2-[5-(dichlorophosphorylamino)-1,2,4-thiadiazol-3-yl]-2-ethoxyiminoacetyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

349.8964 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.90368 162.2
[M+Na]+ 372.88562 170.4
[M-H]- 348.88912 163.5
[M+NH4]+ 367.93022 176.8
[M+K]+ 388.85956 166.9
[M+H-H2O]+ 332.89366 154.9
[M+HCOO]- 394.89460 172.0
[M+CH3COO]- 408.91025 209.5
[M+Na-2H]- 370.87107 161.3
[M]+ 349.89585 168.9
[M]- 349.89695 168.9
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