CID 102135200

4,5,6,7-tetrafluoro-3-(nonafluorobutyl)-1h-indazole

Structural Information

Molecular Formula
C11HF13N2
SMILES
C12=C(NN=C1C(=C(C(=C2F)F)F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11HF13N2/c12-2-1-6(5(15)4(14)3(2)13)25-26-7(1)8(16,17)9(18,19)10(20,21)11(22,23)24/h(H,25,26)
InChIKey
PCLWKPYPGDOCHW-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrafluoro-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2H-indazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

407.99323 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.00051 179.3
[M+Na]+ 430.98245 194.0
[M-H]- 406.98595 166.9
[M+NH4]+ 426.02705 189.9
[M+K]+ 446.95639 186.3
[M+H-H2O]+ 390.99049 164.1
[M+HCOO]- 452.99143 180.6
[M+CH3COO]- 467.00708 221.4
[M+Na-2H]- 428.96790 179.7
[M]+ 407.99268 162.9
[M]- 407.99378 162.9
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.