CID 5344074

(e)-3-(4-chlorophenyl)-1-phenyl-1h-pyrazole-4-carbaldehyde oxime

Structural Information

Molecular Formula
C16H12ClN3O
SMILES
C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)/C=N/O
InChI
InChI=1S/C16H12ClN3O/c17-14-8-6-12(7-9-14)16-13(10-18-21)11-20(19-16)15-4-2-1-3-5-15/h1-11,21H/b18-10+
InChIKey
OIAXIGUMTSUKII-VCHYOVAHSA-N
Compound name
(NE)-N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.0669 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.07418 167.1
[M+Na]+ 320.05612 177.0
[M-H]- 296.05962 174.7
[M+NH4]+ 315.10072 181.8
[M+K]+ 336.03006 170.0
[M+H-H2O]+ 280.06416 157.5
[M+HCOO]- 342.06510 186.9
[M+CH3COO]- 356.08075 179.1
[M+Na-2H]- 318.04157 171.4
[M]+ 297.06635 169.3
[M]- 297.06745 169.3
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.

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No patent data available for this compound.