CID 102135203

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

Structural Information

Molecular Formula
C10HF11N2
SMILES
C12=C(NN=C1C(=C(C(=C2F)F)F)F)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10HF11N2/c11-2-1-6(5(14)4(13)3(2)12)22-23-7(1)8(15,16)9(17,18)10(19,20)21/h(H,22,23)
InChIKey
FTSFKJUGJTZVJF-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-indazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

357.9964 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.00368 167.1
[M+Na]+ 380.98562 182.1
[M-H]- 356.98912 156.6
[M+NH4]+ 376.03022 180.0
[M+K]+ 396.95956 174.7
[M+H-H2O]+ 340.99366 153.2
[M+HCOO]- 402.99460 172.4
[M+CH3COO]- 417.01025 212.4
[M+Na-2H]- 378.97107 168.2
[M]+ 357.99585 153.9
[M]- 357.99695 153.9
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.