CID 84686280

1782834-36-9

Structural Information

Molecular Formula

C₇H₉ClN₂O₂S

SMILES

CN1C(=C2CCCC2=N1)S(=O)(=O)Cl

InChI

InChI=1S/C7H9ClN2O2S/c1-10-7(13(8,11)12)5-3-2-4-6(5)9-10/h2-4H2,1H3

InChIKey

XEFRGWIGMGMCCR-UHFFFAOYSA-N

Compound name

2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 220.00732 Da
Monoisotopic Mass: 1.3
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]+	221.01460	147.1
[M+Na]+	242.99654	159.4
[M-H]-	219.00004	150.4
[M+NH4]+	238.04114	169.5
[M+K]+	258.97048	156.1
[M+H-H2O]+	203.00458	142.9
[M+HCOO]-	265.00552	159.2
[M+CH3COO]-	279.02117	181.5
[M+Na-2H]-	240.98199	148.8
[M]+	220.00677	152.2
[M]-	220.00787	152.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe