CID 15933837

139157-43-0

Structural Information

Molecular Formula
C14H15ClN2O
SMILES
CC(C)C1=NN(C(=C1C=O)Cl)CC2=CC=CC=C2
InChI
InChI=1S/C14H15ClN2O/c1-10(2)13-12(9-18)14(15)17(16-13)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3
InChIKey
IAILTMQZTBPZMQ-UHFFFAOYSA-N
Compound name
1-benzyl-5-chloro-3-propan-2-ylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

262.08728 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.09456 158.7
[M+Na]+ 285.07650 168.8
[M-H]- 261.08000 163.1
[M+NH4]+ 280.12110 175.7
[M+K]+ 301.05044 163.4
[M+H-H2O]+ 245.08454 150.9
[M+HCOO]- 307.08548 175.9
[M+CH3COO]- 321.10113 196.4
[M+Na-2H]- 283.06195 160.3
[M]+ 262.08673 162.8
[M]- 262.08783 162.8
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