CID 70700906

3-iodo-4-methoxy-1h-indazole

Structural Information

Molecular Formula
C8H7IN2O
SMILES
COC1=CC=CC2=NNC(=C21)I
InChI
InChI=1S/C8H7IN2O/c1-12-6-4-2-3-5-7(6)8(9)11-10-5/h2-4H,1H3,(H,10,11)
InChIKey
WTBLMJGTCGQTPN-UHFFFAOYSA-N
Compound name
3-iodo-4-methoxy-2H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

273.9603 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.96758 134.9
[M+Na]+ 296.94952 139.2
[M-H]- 272.95302 129.5
[M+NH4]+ 291.99412 150.6
[M+K]+ 312.92346 141.7
[M+H-H2O]+ 256.95756 125.0
[M+HCOO]- 318.95850 152.8
[M+CH3COO]- 332.97415 145.0
[M+Na-2H]- 294.93497 131.3
[M]+ 273.95975 134.3
[M]- 273.96085 134.3
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