CID 46741285

5-chloro-1-phenyl-1h-pyrazole-4-carbonitrile

Structural Information

Molecular Formula
C10H6ClN3
SMILES
C1=CC=C(C=C1)N2C(=C(C=N2)C#N)Cl
InChI
InChI=1S/C10H6ClN3/c11-10-8(6-12)7-13-14(10)9-4-2-1-3-5-9/h1-5,7H
InChIKey
PUSZKFPOUNLXFN-UHFFFAOYSA-N
Compound name
5-chloro-1-phenylpyrazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

203.02502 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.03230 141.9
[M+Na]+ 226.01424 154.5
[M-H]- 202.01774 144.6
[M+NH4]+ 221.05884 158.7
[M+K]+ 241.98818 148.1
[M+H-H2O]+ 186.02228 127.3
[M+HCOO]- 248.02322 157.4
[M+CH3COO]- 262.03887 153.8
[M+Na-2H]- 223.99969 146.7
[M]+ 203.02447 138.3
[M]- 203.02557 138.3
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

patents stripe