CID 210679

21486-34-0

Structural Information

Molecular Formula
C21H15F3N2O
SMILES
C1=CC=C(C=C1)COC2=NN(C3=CC=CC=C32)C4=CC=CC(=C4)C(F)(F)F
InChI
InChI=1S/C21H15F3N2O/c22-21(23,24)16-9-6-10-17(13-16)26-19-12-5-4-11-18(19)20(25-26)27-14-15-7-2-1-3-8-15/h1-13H,14H2
InChIKey
IHOLGYBZZCSGBR-UHFFFAOYSA-N
Compound name
3-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.11365 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.12093 185.8
[M+Na]+ 391.10287 196.2
[M-H]- 367.10637 190.6
[M+NH4]+ 386.14747 197.8
[M+K]+ 407.07681 188.3
[M+H-H2O]+ 351.11091 172.8
[M+HCOO]- 413.11185 203.4
[M+CH3COO]- 427.12750 195.8
[M+Na-2H]- 389.08832 189.9
[M]+ 368.11310 185.3
[M]- 368.11420 185.3
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

No patent data available for this compound.