CID 119006359

7-fluoro-6-methoxy-1h-indazole

Structural Information

Molecular Formula
C8H7FN2O
SMILES
COC1=C(C2=C(C=C1)C=NN2)F
InChI
InChI=1S/C8H7FN2O/c1-12-6-3-2-5-4-10-11-8(5)7(6)9/h2-4H,1H3,(H,10,11)
InChIKey
VYLHMSYWXQQDIP-UHFFFAOYSA-N
Compound name
7-fluoro-6-methoxy-1H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

166.05424 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.06152 128.9
[M+Na]+ 189.04346 140.7
[M-H]- 165.04696 129.2
[M+NH4]+ 184.08806 149.6
[M+K]+ 205.01740 137.1
[M+H-H2O]+ 149.05150 121.7
[M+HCOO]- 211.05244 151.0
[M+CH3COO]- 225.06809 143.1
[M+Na-2H]- 187.02891 136.8
[M]+ 166.05369 129.8
[M]- 166.05479 129.8
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