CID 2776255

4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-nonene

Structural Information

Molecular Formula
C9H5F13
SMILES
CC=CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H5F13/c1-2-3-4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h2-3H,1H3
InChIKey
ZYHWHNDIVSRFMS-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

360.01837 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.02565 167.6
[M+Na]+ 383.00759 176.9
[M-H]- 359.01109 153.6
[M+NH4]+ 378.05219 179.3
[M+K]+ 398.98153 173.1
[M+H-H2O]+ 343.01563 154.3
[M+HCOO]- 405.01657 167.7
[M+CH3COO]- 419.03222 215.0
[M+Na-2H]- 380.99304 170.4
[M]+ 360.01782 147.2
[M]- 360.01892 147.2
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

patents stripe