CID 91972108

5,5-bis(trifluoromethyl)-6,6,7,7,8,8,8-heptafluoroocta-1,3-diene

Structural Information

Molecular Formula
C10H5F13
SMILES
C=CC=CC(C(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C10H5F13/c1-2-3-4-5(8(15,16)17,9(18,19)20)6(11,12)7(13,14)10(21,22)23/h2-4H,1H2
InChIKey
PUTFFSRJABOVAD-UHFFFAOYSA-N
Compound name
6,6,7,7,8,8,8-heptafluoro-5,5-bis(trifluoromethyl)octa-1,3-diene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
Patents

372.01837 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.02565 170.7
[M+Na]+ 395.00759 180.1
[M-H]- 371.01109 156.7
[M+NH4]+ 390.05219 182.1
[M+K]+ 410.98153 175.4
[M+H-H2O]+ 355.01563 157.4
[M+HCOO]- 417.01657 170.7
[M+CH3COO]- 431.03222 215.5
[M+Na-2H]- 392.99304 173.1
[M]+ 372.01782 149.9
[M]- 372.01892 149.9
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