CID 138039643

3-cyclopropyl-1-ethyl-1h-pyrazole-4-sulfonyl chloride

Structural Information

Molecular Formula

C₈H₁₁ClN₂O₂S

SMILES

CCN1C=C(C(=N1)C2CC2)S(=O)(=O)Cl

InChI

InChI=1S/C8H11ClN2O2S/c1-2-11-5-7(14(9,12)13)8(10-11)6-3-4-6/h5-6H,2-4H2,1H3

InChIKey

QTCFOTKUIREOHS-UHFFFAOYSA-N

Compound name

3-cyclopropyl-1-ethylpyrazole-4-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 234.02298 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	235.030256	149.1
[M+Na]+	257.012198	161.5
[M-H]-	233.015704	154.6
[M+NH4]+	252.056803	163.0
[M+K]+	272.986138	156.1
[M+H-H2O]+	217.020240	142.9
[M+HCOO]-	279.021181	161.9
[M+CH3COO]-	293.036831	188.0
[M+Na-2H]-	254.997646	150.7
[M]+	234.02243142	156.4
[M]-	234.02352858	156.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe