CID 22404672

45291-33-6

Structural Information

Molecular Formula
C9H3F15O2
SMILES
C(C(=O)O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H3F15O2/c10-3(11,1-2(25)26)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)24/h1H2,(H,25,26)
InChIKey
WSEQBIVQCARAMW-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

37
Patents

427.98935 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.99663 153.4
[M+Na]+ 450.97857 159.5
[M-H]- 426.98207 159.5
[M+NH4]+ 446.02317 161.3
[M+K]+ 466.95251 183.6
[M+H-H2O]+ 410.98661 164.0
[M+HCOO]- 472.98755 172.1
[M+CH3COO]- 487.00320 223.5
[M+Na-2H]- 448.96402 180.3
[M]+ 427.98880 151.8
[M]- 427.98990 151.8
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

patents stripe