CID 162345527

Ns00133331

Structural Information

Molecular Formula
C11H9ClN2O2
SMILES
CN1C(=CC(=O)N1C2=CC=CC=C2Cl)C=O
InChI
InChI=1S/C11H9ClN2O2/c1-13-8(7-15)6-11(16)14(13)10-5-3-2-4-9(10)12/h2-7H,1H3
InChIKey
UCGXNUIFRQWLTN-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-2-methyl-5-oxopyrazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.03525 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.042526 147.0
[M+Na]+ 259.024468 159.8
[M-H]- 235.027974 152.3
[M+NH4]+ 254.069073 165.4
[M+K]+ 274.998408 154.6
[M+H-H2O]+ 219.032510 139.9
[M+HCOO]- 281.033451 166.6
[M+CH3COO]- 295.049101 189.1
[M+Na-2H]- 257.009916 150.7
[M]+ 236.03470142 151.8
[M]- 236.03579858 151.8
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

No patent data available for this compound.