CID 2752554

5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecan-2-one

Structural Information

Molecular Formula
C12H7F17O
SMILES
CC(=O)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H7F17O/c1-4(30)2-3-5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h2-3H2,1H3
InChIKey
YODYACHGCKMUMD-UHFFFAOYSA-N
Compound name
5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

490.02255 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.02983 169.3
[M+Na]+ 513.01177 175.8
[M-H]- 489.01527 176.1
[M+NH4]+ 508.05637 179.5
[M+K]+ 528.98571 184.1
[M+H-H2O]+ 473.01981 159.6
[M+HCOO]- 535.02075 188.2
[M+CH3COO]- 549.03640 237.4
[M+Na-2H]- 510.99722 169.0
[M]+ 490.02200 168.4
[M]- 490.02310 168.4
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