CID 386341

Nsc678124

Structural Information

Molecular Formula
C15H12FN3O3
SMILES
COC1=NN(C2=C1C=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3F
InChI
InChI=1S/C15H12FN3O3/c1-22-15-12-8-11(19(20)21)6-7-14(12)18(17-15)9-10-4-2-3-5-13(10)16/h2-8H,9H2,1H3
InChIKey
ZKVBUVHEILDNMG-UHFFFAOYSA-N
Compound name
1-[(2-fluorophenyl)methyl]-3-methoxy-5-nitroindazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

301.08627 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.09355 164.8
[M+Na]+ 324.07549 174.7
[M-H]- 300.07899 169.8
[M+NH4]+ 319.12009 179.3
[M+K]+ 340.04943 166.0
[M+H-H2O]+ 284.08353 159.5
[M+HCOO]- 346.08447 188.2
[M+CH3COO]- 360.10012 198.5
[M+Na-2H]- 322.06094 172.0
[M]+ 301.08572 166.6
[M]- 301.08682 166.6
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.