CID 2776129

159623-34-4

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
2
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 188.4
[M+Na]+ 448.88172 200.9
[M-H]- 424.88522 177.9
[M+NH4]+ 443.92632 200.9
[M+K]+ 464.85566 188.9
[M+H-H2O]+ 408.88976 180.3
[M+HCOO]- 470.89070 187.1
[M+CH3COO]- 484.90635 219.9
[M+Na-2H]- 446.86717 190.4
[M]+ 425.89195 185.4
[M]- 425.89305 185.4
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