CID 71329208

1,1,1,2,2,3,3,4,4,5,5,6-dodecafluorododec-6-ene

Structural Information

Molecular Formula
C12H12F12
SMILES
CCCCCC=C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C12H12F12/c1-2-3-4-5-6-7(13)8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)24/h6H,2-5H2,1H3
InChIKey
QSMWTZRYLVVETD-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6-dodecafluorododec-6-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

384.07474 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.08202 177.0
[M+Na]+ 407.06396 184.7
[M-H]- 383.06746 163.0
[M+NH4]+ 402.10856 188.0
[M+K]+ 423.03790 180.3
[M+H-H2O]+ 367.07200 163.6
[M+HCOO]- 429.07294 177.7
[M+CH3COO]- 443.08859 220.5
[M+Na-2H]- 405.04941 176.8
[M]+ 384.07419 159.3
[M]- 384.07529 159.3
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

No patent data available for this compound.