CID 2752559

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-2-methyldecanoic acid

Structural Information

Molecular Formula
C11H5F17O2
SMILES
CC(C(=O)O)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
InChI
InChI=1S/C11H5F17O2/c1-2(3(29)30)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h2H,1H3,(H,29,30)
InChIKey
LYZCGZWGQVKVSU-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-2-methyldecanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

19
Patents

492.0018 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.009076 167.3
[M+Na]+ 514.991018 173.0
[M-H]- 490.994524 175.9
[M+NH4]+ 510.035623 177.5
[M+K]+ 530.964958 181.4
[M+H-H2O]+ 474.999060 157.2
[M+HCOO]- 537.000001 183.1
[M+CH3COO]- 551.015651 234.9
[M+Na-2H]- 512.976466 166.8
[M]+ 492.00125142 165.3
[M]- 492.00234858 165.3
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

patents stripe