CID 66021977

3-chloro-2-(3-chloro-4-methylphenyl)-2h,4h,5h,6h-cyclopenta[c]pyrazole

Structural Information

Molecular Formula
C13H12Cl2N2
SMILES
CC1=C(C=C(C=C1)N2C(=C3CCCC3=N2)Cl)Cl
InChI
InChI=1S/C13H12Cl2N2/c1-8-5-6-9(7-11(8)14)17-13(15)10-3-2-4-12(10)16-17/h5-7H,2-4H2,1H3
InChIKey
FJVURCBRVJFFDB-UHFFFAOYSA-N
Compound name
3-chloro-2-(3-chloro-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.03775 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.04503 161.1
[M+Na]+ 289.02697 173.0
[M-H]- 265.03047 165.8
[M+NH4]+ 284.07157 181.2
[M+K]+ 305.00091 166.1
[M+H-H2O]+ 249.03501 153.9
[M+HCOO]- 311.03595 172.9
[M+CH3COO]- 325.05160 173.6
[M+Na-2H]- 287.01242 161.2
[M]+ 266.03720 164.1
[M]- 266.03830 164.1
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.