CID 85764

14730-30-4

Structural Information

Molecular Formula
C10H8ClN5O3
SMILES
CC1=NNC(=O)C1N=NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C10H8ClN5O3/c1-5-9(10(17)15-12-5)14-13-7-3-2-6(11)4-8(7)16(18)19/h2-4,9H,1H3,(H,15,17)
InChIKey
GXJHLTQHSDRTBV-UHFFFAOYSA-N
Compound name
4-[(4-chloro-2-nitrophenyl)diazenyl]-3-methyl-1,4-dihydropyrazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.03156 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.03884 159.2
[M+Na]+ 304.02078 167.7
[M-H]- 280.02428 165.3
[M+NH4]+ 299.06538 174.2
[M+K]+ 319.99472 159.7
[M+H-H2O]+ 264.02882 155.5
[M+HCOO]- 326.02976 181.9
[M+CH3COO]- 340.04541 197.2
[M+Na-2H]- 302.00623 165.7
[M]+ 281.03101 159.5
[M]- 281.03211 159.5
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.