CID 4962775

5-chloro-4-(chloromethyl)-3-methyl-1-phenyl-1h-pyrazole

Structural Information

Molecular Formula
C11H10Cl2N2
SMILES
CC1=NN(C(=C1CCl)Cl)C2=CC=CC=C2
InChI
InChI=1S/C11H10Cl2N2/c1-8-10(7-12)11(13)15(14-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKey
LJRKBPGJMPHUPW-UHFFFAOYSA-N
Compound name
5-chloro-4-(chloromethyl)-3-methyl-1-phenylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

240.02211 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.02939 149.3
[M+Na]+ 263.01133 165.8
[M+NH4]+ 258.05593 158.7
[M+K]+ 278.98527 158.4
[M-H]- 239.01483 152.8
[M+Na-2H]- 260.99678 158.2
[M]+ 240.02156 153.4
[M]- 240.02266 153.4
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

patents stripe