CID 53820950

3-azidopropane-1-sulfonyl chloride

Structural Information

Molecular Formula
C3H6ClN3O2S
SMILES
C(CN=[N+]=[N-])CS(=O)(=O)Cl
InChI
InChI=1S/C3H6ClN3O2S/c4-10(8,9)3-1-2-6-7-5/h1-3H2
InChIKey
FVRXLSOOPLSSNW-UHFFFAOYSA-N
Compound name
3-azidopropane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

154
Patents

182.98692 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.99420 133.3
[M+Na]+ 205.97614 141.3
[M-H]- 181.97964 136.6
[M+NH4]+ 201.02074 154.2
[M+K]+ 221.95008 134.4
[M+H-H2O]+ 165.98418 133.3
[M+HCOO]- 227.98512 153.7
[M+CH3COO]- 242.00077 178.0
[M+Na-2H]- 203.96159 141.9
[M]+ 182.98637 135.1
[M]- 182.98747 135.1
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