CID 101399030

755-03-3

Structural Information

Molecular Formula
C10H3F15O2
SMILES
C(=C/C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)\C(=O)O
InChI
InChI=1S/C10H3F15O2/c11-4(12,2-1-3(26)27)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h1-2H,(H,26,27)/b2-1+
InChIKey
RRROMQAILYJNAL-OWOJBTEDSA-N
Compound name
(E)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodec-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.98935 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.99663 155.8
[M+Na]+ 462.97857 162.3
[M-H]- 438.98207 162.4
[M+NH4]+ 458.02317 164.0
[M+K]+ 478.95251 167.9
[M+H-H2O]+ 422.98661 166.9
[M+HCOO]- 484.98755 174.9
[M+CH3COO]- 499.00320 224.6
[M+Na-2H]- 460.96402 155.3
[M]+ 439.98880 154.0
[M]- 439.98990 154.0
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.