CID 60034696

5-bromo-6-fluoro-3-iodo-1h-indazole

Structural Information

Molecular Formula
C7H3BrFIN2
SMILES
C1=C(C(=CC2=C(NN=C21)I)Br)F
InChI
InChI=1S/C7H3BrFIN2/c8-4-1-3-6(2-5(4)9)11-12-7(3)10/h1-2H,(H,11,12)
InChIKey
YEJDLPSYMXVKQV-UHFFFAOYSA-N
Compound name
5-bromo-6-fluoro-3-iodo-2H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

339.85083 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.85811 139.8
[M+Na]+ 362.84005 148.6
[M-H]- 338.84355 136.7
[M+NH4]+ 357.88465 156.9
[M+K]+ 378.81399 142.2
[M+H-H2O]+ 322.84809 135.8
[M+HCOO]- 384.84903 155.0
[M+CH3COO]- 398.86468 151.5
[M+Na-2H]- 360.82550 137.2
[M]+ 339.85028 154.7
[M]- 339.85138 154.7
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