CID 63383599

2-chloro-5-(methoxymethyl)-1,3,4-thiadiazole

Structural Information

Molecular Formula
C4H5ClN2OS
SMILES
COCC1=NN=C(S1)Cl
InChI
InChI=1S/C4H5ClN2OS/c1-8-2-3-6-7-4(5)9-3/h2H2,1H3
InChIKey
CFDHRDUBZIULSV-UHFFFAOYSA-N
Compound name
2-chloro-5-(methoxymethyl)-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.98111 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.98839 127.2
[M+Na]+ 186.97033 138.7
[M-H]- 162.97383 129.1
[M+NH4]+ 182.01493 148.9
[M+K]+ 202.94427 136.2
[M+H-H2O]+ 146.97837 121.8
[M+HCOO]- 208.97931 141.9
[M+CH3COO]- 222.99496 172.7
[M+Na-2H]- 184.95578 130.6
[M]+ 163.98056 132.6
[M]- 163.98166 132.6
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.