CID 135465516

2-[2-(2-nitrophenyl)pyrazol-3-yl]phenol

Structural Information

Molecular Formula
C15H11N3O3
SMILES
C1=CC=C(C(=C1)C2=CC=NN2C3=CC=CC=C3[N+](=O)[O-])O
InChI
InChI=1S/C15H11N3O3/c19-15-8-4-1-5-11(15)12-9-10-16-17(12)13-6-2-3-7-14(13)18(20)21/h1-10,19H
InChIKey
CBWABBOYFSSXKH-UHFFFAOYSA-N
Compound name
2-[2-(2-nitrophenyl)pyrazol-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

281.08005 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.08733 160.9
[M+Na]+ 304.06927 168.3
[M-H]- 280.07277 167.7
[M+NH4]+ 299.11387 173.8
[M+K]+ 320.04321 159.4
[M+H-H2O]+ 264.07731 155.9
[M+HCOO]- 326.07825 184.0
[M+CH3COO]- 340.09390 190.6
[M+Na-2H]- 302.05472 167.4
[M]+ 281.07950 158.7
[M]- 281.08060 158.7
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