CID 102163

1800-91-5

Structural Information

Molecular Formula
C10H6F12
SMILES
C=CC(C(C(C(C(C(C=C)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H6F12/c1-3-5(11,12)7(15,16)9(19,20)10(21,22)8(17,18)6(13,14)4-2/h3-4H,1-2H2
InChIKey
PDFSXHZXNZCKNF-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodeca-1,9-diene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1210
Patents

354.0278 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.03508 166.3
[M+Na]+ 377.01702 175.3
[M-H]- 353.02052 153.1
[M+NH4]+ 372.06162 178.2
[M+K]+ 392.99096 171.0
[M+H-H2O]+ 337.02506 153.7
[M+HCOO]- 399.02600 167.2
[M+CH3COO]- 413.04165 215.2
[M+Na-2H]- 375.00247 169.4
[M]+ 354.02725 147.2
[M]- 354.02835 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

literature stripe

Patent stripe

patents stripe