CID 24844219

Brn 0669292

Structural Information

Molecular Formula
C9H15Cl2N3O2S
SMILES
CC1=CC(=NN1S(=O)(=O)N(CCCl)CCCl)C
InChI
InChI=1S/C9H15Cl2N3O2S/c1-8-7-9(2)14(12-8)17(15,16)13(5-3-10)6-4-11/h7H,3-6H2,1-2H3
InChIKey
PGVWTGZDSJKEDL-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-3,5-dimethylpyrazole-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.0262 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.03348 164.0
[M+Na]+ 322.01542 174.0
[M-H]- 298.01892 166.7
[M+NH4]+ 317.06002 181.0
[M+K]+ 337.98936 169.7
[M+H-H2O]+ 282.02346 158.2
[M+HCOO]- 344.02440 172.3
[M+CH3COO]- 358.04005 201.9
[M+Na-2H]- 320.00087 164.3
[M]+ 299.02565 172.2
[M]- 299.02675 172.2
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.