CID 383496

Nsc671881

Structural Information

Molecular Formula
C4H3ClN4S
SMILES
CC1=NN=C2N1N=C(S2)Cl
InChI
InChI=1S/C4H3ClN4S/c1-2-6-7-4-9(2)8-3(5)10-4/h1H3
InChIKey
ZWYWAZVNJOFKJX-UHFFFAOYSA-N
Compound name
6-chloro-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.9767 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.98398 129.6
[M+Na]+ 196.96592 145.0
[M-H]- 172.96942 131.0
[M+NH4]+ 192.01052 151.6
[M+K]+ 212.93986 141.8
[M+H-H2O]+ 156.97396 123.6
[M+HCOO]- 218.97490 143.8
[M+CH3COO]- 232.99055 144.7
[M+Na-2H]- 194.95137 133.0
[M]+ 173.97615 136.4
[M]- 173.97725 136.4
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.