CID 138396354

2h-perfluoro-2-dodecenoate

Structural Information

Molecular Formula
C12H2F20O2
SMILES
C(=C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F)C(=O)O
InChI
InChI=1S/C12H2F20O2/c13-2(1-3(33)34)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)12(30,31)32/h1H,(H,33,34)
InChIKey
OGNPKTMXAFCAFU-UHFFFAOYSA-N
Compound name
3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-icosafluorododec-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

7
Patents

557.9736 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 558.98088 175.3
[M+Na]+ 580.96282 180.7
[M-H]- 556.96632 185.6
[M+NH4]+ 576.00742 186.6
[M+K]+ 596.93676 190.9
[M+H-H2O]+ 540.97086 164.4
[M+HCOO]- 602.97180 191.1
[M+CH3COO]- 616.98745 243.3
[M+Na-2H]- 578.94827 175.6
[M]+ 557.97305 172.4
[M]- 557.97415 172.4
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