CID 2776129

Perfluoroheptanoyl bromide

Structural Information

Molecular Formula
C7BrF13O
SMILES
C(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Br
InChI
InChI=1S/C7BrF13O/c8-1(22)2(9,10)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)21
InChIKey
KQMDGCKMRBEXNN-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoyl bromide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.8925 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.89978 182.4
[M+Na]+ 448.88172 181.4
[M+NH4]+ 443.92632 181.3
[M+K]+ 464.85566 180.8
[M-H]- 424.88522 178.3
[M+Na-2H]- 446.86717 180.2
[M]+ 425.89195 180.8
[M]- 425.89305 180.8
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.