CID 1111209

5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

Structural Information

Molecular Formula
C14H7BrF3N3O2
SMILES
C1=CC(=CC=C1C2=NC3=C(C=NN3C(=C2)C(F)(F)F)C(=O)O)Br
InChI
InChI=1S/C14H7BrF3N3O2/c15-8-3-1-7(2-4-8)10-5-11(14(16,17)18)21-12(20-10)9(6-19-21)13(22)23/h1-6H,(H,22,23)
InChIKey
XUCGQIJNYLFDEB-UHFFFAOYSA-N
Compound name
5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

384.96738 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.97466 178.3
[M+Na]+ 407.95660 192.9
[M-H]- 383.96010 181.3
[M+NH4]+ 403.00120 192.4
[M+K]+ 423.93054 179.6
[M+H-H2O]+ 367.96464 174.5
[M+HCOO]- 429.96558 191.8
[M+CH3COO]- 443.98123 210.1
[M+Na-2H]- 405.94205 182.7
[M]+ 384.96683 195.9
[M]- 384.96793 195.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.