CID 11286542

5-chloro-1,3,4-thiadiazole-2-carbonitrile

Structural Information

Molecular Formula
C3ClN3S
SMILES
C(#N)C1=NN=C(S1)Cl
InChI
InChI=1S/C3ClN3S/c4-3-7-6-2(1-5)8-3
InChIKey
CNSGTVFPDJGHOG-UHFFFAOYSA-N
Compound name
5-chloro-1,3,4-thiadiazole-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

144.95015 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.95743 124.7
[M+Na]+ 167.93937 138.1
[M-H]- 143.94287 126.6
[M+NH4]+ 162.98397 144.7
[M+K]+ 183.91331 135.3
[M+H-H2O]+ 127.94741 112.4
[M+HCOO]- 189.94835 136.3
[M+CH3COO]- 203.96400 137.9
[M+Na-2H]- 165.92482 128.4
[M]+ 144.94960 122.9
[M]- 144.95070 122.9
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