CID 82918785

1551273-05-2

Structural Information

Molecular Formula
C11H10Cl2N2O2S
SMILES
CCC1=NN(C(=C1S(=O)(=O)Cl)Cl)C2=CC=CC=C2
InChI
InChI=1S/C11H10Cl2N2O2S/c1-2-9-10(18(13,16)17)11(12)15(14-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKey
ZXTFVHDLWXDQMH-UHFFFAOYSA-N
Compound name
5-chloro-3-ethyl-1-phenylpyrazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.984 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.99128 163.6
[M+Na]+ 326.97322 176.0
[M-H]- 302.97672 168.6
[M+NH4]+ 322.01782 180.2
[M+K]+ 342.94716 169.8
[M+H-H2O]+ 286.98126 157.6
[M+HCOO]- 348.98220 171.4
[M+CH3COO]- 362.99785 196.5
[M+Na-2H]- 324.95867 164.6
[M]+ 303.98345 170.3
[M]- 303.98455 170.3
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

No patent data available for this compound.