CID 11201035

Phtpp

Structural Information

Molecular Formula
C20H11F6N3O
SMILES
C1=CC=C(C=C1)C2=NN3C(=CC(=NC3=C2C4=CC=C(C=C4)O)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C20H11F6N3O/c21-19(22,23)14-10-15(20(24,25)26)29-18(27-14)16(11-6-8-13(30)9-7-11)17(28-29)12-4-2-1-3-5-12/h1-10,30H
InChIKey
AEZPAUSGTAHLOQ-UHFFFAOYSA-N
Compound name
4-[2-phenyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

77
References

97
Patents

423.08063 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.08791 196.9
[M+Na]+ 446.06985 209.6
[M-H]- 422.07335 196.6
[M+NH4]+ 441.11445 205.2
[M+K]+ 462.04379 200.2
[M+H-H2O]+ 406.07789 182.0
[M+HCOO]- 468.07883 207.0
[M+CH3COO]- 482.09448 204.8
[M+Na-2H]- 444.05530 199.0
[M]+ 423.08008 191.8
[M]- 423.08118 191.8
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

patents stripe