CID 14576151

3-(chloromethyl)-1-phenyl-1h,4h,5h,6h-cyclopenta[c]pyrazole

Structural Information

Molecular Formula
C13H13ClN2
SMILES
C1CC2=C(C1)N(N=C2CCl)C3=CC=CC=C3
InChI
InChI=1S/C13H13ClN2/c14-9-12-11-7-4-8-13(11)16(15-12)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
InChIKey
JZQCNZOQBXKTDJ-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.07672 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.08400 149.9
[M+Na]+ 255.06594 164.2
[M+NH4]+ 250.11054 160.0
[M+K]+ 271.03988 159.1
[M-H]- 231.06944 153.6
[M+Na-2H]- 253.05139 157.4
[M]+ 232.07617 153.3
[M]- 232.07727 153.3
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.