CID 550014

107650-06-6

Structural Information

Molecular Formula
C9H7F13O2
SMILES
C(C(CO)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H7F13O2/c10-4(11,1-3(24)2-23)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h3,23-24H,1-2H2
InChIKey
DAHZCNRVTNHGGR-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

271
Patents

394.02383 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.031106 172.5
[M+Na]+ 417.013048 180.3
[M-H]- 393.016554 155.8
[M+NH4]+ 412.057653 155.5
[M+K]+ 432.986988 177.0
[M+H-H2O]+ 377.021090 159.7
[M+HCOO]- 439.022031 167.6
[M+CH3COO]- 453.037681 216.0
[M+Na-2H]- 414.998496 174.3
[M]+ 394.02328142 151.4
[M]- 394.02437858 151.4
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