CID 67491372

5-bromo-7-(trifluoromethyl)-1h-indazole

Structural Information

Molecular Formula
C8H4BrF3N2
SMILES
C1=C(C=C(C2=C1C=NN2)C(F)(F)F)Br
InChI
InChI=1S/C8H4BrF3N2/c9-5-1-4-3-13-14-7(4)6(2-5)8(10,11)12/h1-3H,(H,13,14)
InChIKey
YLMFTTBYMVQLMH-UHFFFAOYSA-N
Compound name
5-bromo-7-(trifluoromethyl)-1H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

263.951 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.95828 148.3
[M+Na]+ 286.94022 163.6
[M-H]- 262.94372 149.2
[M+NH4]+ 281.98482 168.7
[M+K]+ 302.91416 150.6
[M+H-H2O]+ 246.94826 146.3
[M+HCOO]- 308.94920 164.4
[M+CH3COO]- 322.96485 188.5
[M+Na-2H]- 284.92567 156.0
[M]+ 263.95045 163.6
[M]- 263.95155 163.6
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

patents stripe