CID 2782570

510768-12-4

Structural Information

Molecular Formula
C15H7F13N2
SMILES
C1=CC=C(C=C1)C2=NNC(=C2)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C15H7F13N2/c16-10(17,9-6-8(29-30-9)7-4-2-1-3-5-7)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h1-6H,(H,29,30)
InChIKey
VMNRZBDGGQYZPX-UHFFFAOYSA-N
Compound name
3-phenyl-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

462.04016 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.04744 192.0
[M+Na]+ 485.02938 201.3
[M-H]- 461.03288 180.6
[M+NH4]+ 480.07398 198.2
[M+K]+ 501.00332 194.4
[M+H-H2O]+ 445.03742 175.5
[M+HCOO]- 507.03836 189.4
[M+CH3COO]- 521.05401 227.6
[M+Na-2H]- 483.01483 194.3
[M]+ 462.03961 171.7
[M]- 462.04071 171.7
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.