CID 2121162

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

Structural Information

Molecular Formula
C10H9ClN2
SMILES
C1=CC=C(C=C1)N2C=C(C=N2)CCl
InChI
InChI=1S/C10H9ClN2/c11-6-9-7-12-13(8-9)10-4-2-1-3-5-10/h1-5,7-8H,6H2
InChIKey
PRKFRFBAKGZDEX-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-1-phenylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

192.04543 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.05271 138.5
[M+Na]+ 215.03465 148.5
[M-H]- 191.03815 142.5
[M+NH4]+ 210.07925 157.8
[M+K]+ 231.00859 143.7
[M+H-H2O]+ 175.04269 130.7
[M+HCOO]- 237.04363 157.5
[M+CH3COO]- 251.05928 152.1
[M+Na-2H]- 213.02010 144.7
[M]+ 192.04488 140.2
[M]- 192.04598 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

No literature data available for this compound.

Patent stripe

patents stripe