CID 11745492

27006-83-3

Structural Information

Molecular Formula

C₆H₆Cl₂N₂O

SMILES

CC1=NN(C(=C1C(=O)Cl)Cl)C

InChI

InChI=1S/C6H6Cl2N2O/c1-3-4(6(8)11)5(7)10(2)9-3/h1-2H3

InChIKey

WIWMMJPXRWAZBB-UHFFFAOYSA-N

Compound name

5-chloro-1,3-dimethylpyrazole-4-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 91
Patents: 191.98572 Da
Monoisotopic Mass: 2.1
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]+	192.99300	134.0
[M+Na]+	214.97494	146.2
[M-H]-	190.97844	135.1
[M+NH4]+	210.01954	154.4
[M+K]+	230.94888	142.1
[M+H-H2O]+	174.98298	128.9
[M+HCOO]-	236.98392	147.1
[M+CH3COO]-	250.99957	181.8
[M+Na-2H]-	212.96039	136.7
[M]+	191.98517	138.1
[M]-	191.98627	138.1

Literature stripe

literature stripe

Patent stripe

patents stripe