CID 139596116

Perfluoro-n-methoxy decanoic acid

Structural Information

Molecular Formula
C11HF21O3
SMILES
C(=O)(C(C(C(C(C(C(C(C(C(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C11HF21O3/c12-2(13,1(33)34)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)35-11(30,31)32/h(H,33,34)
InChIKey
MRLPVROGOQAYDW-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-octadecafluoro-10-(trifluoromethoxy)decanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

579.95905 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 580.96633 173.6
[M+Na]+ 602.94827 177.6
[M-H]- 578.95177 184.3
[M+NH4]+ 597.99287 184.8
[M+K]+ 618.92221 188.5
[M+H-H2O]+ 562.95631 161.5
[M+HCOO]- 624.95725 191.1
[M+CH3COO]- 638.97290 246.0
[M+Na-2H]- 600.93372 174.1
[M]+ 579.95850 171.8
[M]- 579.95960 171.8
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.