CID 2782574

Heptadecafluorononanoyl bromide

Structural Information

Molecular Formula
C9BrF17O
SMILES
C(=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)Br
InChI
InChI=1S/C9BrF17O/c10-1(28)2(11,12)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)27
InChIKey
UVJKQOBSOWPCAF-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoyl bromide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

525.8861 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.89338 187.8
[M+Na]+ 548.87532 194.3
[M-H]- 524.87882 194.7
[M+NH4]+ 543.91992 197.6
[M+K]+ 564.84926 201.5
[M+H-H2O]+ 508.88336 204.0
[M+HCOO]- 570.88430 205.8
[M+CH3COO]- 584.89995 235.7
[M+Na-2H]- 546.86077 187.2
[M]+ 525.88555 185.9
[M]- 525.88665 185.9
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.