CID 89954370

2-ethyl-2h-1,2,3-triazole-4-sulfonyl chloride

Structural Information

Molecular Formula
C4H6ClN3O2S
SMILES
CCN1N=CC(=N1)S(=O)(=O)Cl
InChI
InChI=1S/C4H6ClN3O2S/c1-2-8-6-3-4(7-8)11(5,9)10/h3H,2H2,1H3
InChIKey
MRXMYHDAQKAGAP-UHFFFAOYSA-N
Compound name
2-ethyltriazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

194.98692 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.99420 136.1
[M+Na]+ 217.97614 148.2
[M-H]- 193.97964 136.9
[M+NH4]+ 213.02074 155.0
[M+K]+ 233.95008 145.2
[M+H-H2O]+ 177.98418 130.2
[M+HCOO]- 239.98512 148.4
[M+CH3COO]- 254.00077 176.2
[M+Na-2H]- 215.96159 139.9
[M]+ 194.98637 141.3
[M]- 194.98747 141.3
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