CID 7130887

1-(4-(chloromethyl)phenyl)-1h-pyrazole

Structural Information

Molecular Formula
C10H9ClN2
SMILES
C1=CN(N=C1)C2=CC=C(C=C2)CCl
InChI
InChI=1S/C10H9ClN2/c11-8-9-2-4-10(5-3-9)13-7-1-6-12-13/h1-7H,8H2
InChIKey
PAINSRDHMRYAGK-UHFFFAOYSA-N
Compound name
1-[4-(chloromethyl)phenyl]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

134
Patents

192.04543 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.052706 138.5
[M+Na]+ 215.034648 148.5
[M-H]- 191.038154 142.5
[M+NH4]+ 210.079253 157.8
[M+K]+ 231.008588 143.7
[M+H-H2O]+ 175.042690 130.7
[M+HCOO]- 237.043631 157.5
[M+CH3COO]- 251.059281 152.1
[M+Na-2H]- 213.020096 144.7
[M]+ 192.04488142 140.2
[M]- 192.04597858 140.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe