CID 477321

3-(2,6-dichloro-phenyl)-4-methoxymethoxy-[1,2,5]thiadiazole

Structural Information

Molecular Formula
C10H8Cl2N2O2S
SMILES
COCOC1=NSN=C1C2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C10H8Cl2N2O2S/c1-15-5-16-10-9(13-17-14-10)8-6(11)3-2-4-7(8)12/h2-4H,5H2,1H3
InChIKey
JCYUFNIEIYGUGV-UHFFFAOYSA-N
Compound name
3-(2,6-dichlorophenyl)-4-(methoxymethoxy)-1,2,5-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.96835 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.97563 156.6
[M+Na]+ 312.95757 168.7
[M-H]- 288.96107 161.4
[M+NH4]+ 308.00217 173.7
[M+K]+ 328.93151 163.5
[M+H-H2O]+ 272.96561 150.3
[M+HCOO]- 334.96655 166.0
[M+CH3COO]- 348.98220 169.3
[M+Na-2H]- 310.94302 157.6
[M]+ 289.96780 164.9
[M]- 289.96890 164.9
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

No patent data available for this compound.