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

6
Patents

203.02502 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.032296 141.9
[M+Na]+ 226.014238 154.5
[M-H]- 202.017744 144.6
[M+NH4]+ 221.058843 158.7
[M+K]+ 241.988178 148.1
[M+H-H2O]+ 186.022280 127.3
[M+HCOO]- 248.023221 157.4
[M+CH3COO]- 262.038871 153.8
[M+Na-2H]- 223.999686 146.7
[M]+ 203.02447142 138.3
[M]- 203.02556858 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