CID 71439182

63967-42-0

Structural Information

Molecular Formula
C11HF21O
SMILES
C(=O)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)F
InChI
InChI=1S/C11HF21O/c12-2(13,1-33)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)32/h1H
InChIKey
SIGVLQANXAPTLB-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecanal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

26
Patents

547.9692 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 548.97648 170.9
[M+Na]+ 570.95842 176.0
[M-H]- 546.96192 179.6
[M+NH4]+ 566.00302 181.5
[M+K]+ 586.93236 186.6
[M+H-H2O]+ 530.96646 159.1
[M+HCOO]- 592.96740 191.5
[M+CH3COO]- 606.98305 244.6
[M+Na-2H]- 568.94387 172.1
[M]+ 547.96865 169.9
[M]- 547.96975 169.9
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