CID 66021977

1481510-25-1

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]+ 267.045026 161.1
[M+Na]+ 289.026968 173.0
[M-H]- 265.030474 165.8
[M+NH4]+ 284.071573 181.2
[M+K]+ 305.000908 166.1
[M+H-H2O]+ 249.035010 153.9
[M+HCOO]- 311.035951 172.9
[M+CH3COO]- 325.051601 173.6
[M+Na-2H]- 287.012416 161.2
[M]+ 266.03720142 164.1
[M]- 266.03829858 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.