CID 611322

4027-54-7

Structural Information

Molecular Formula
C10H7F3N2
SMILES
C1=CC=C(C=C1)C2=NNC(=C2)C(F)(F)F
InChI
InChI=1S/C10H7F3N2/c11-10(12,13)9-6-8(14-15-9)7-4-2-1-3-5-7/h1-6H,(H,14,15)
InChIKey
KJKWJOAARUHGNU-UHFFFAOYSA-N
Compound name
3-phenyl-5-(trifluoromethyl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

85
Patents

212.05614 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.06342 140.4
[M+Na]+ 235.04536 149.9
[M-H]- 211.04886 139.7
[M+NH4]+ 230.08996 157.4
[M+K]+ 251.01930 145.0
[M+H-H2O]+ 195.05340 130.5
[M+HCOO]- 257.05434 158.0
[M+CH3COO]- 271.06999 181.7
[M+Na-2H]- 233.03081 145.8
[M]+ 212.05559 134.5
[M]- 212.05669 134.5
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