CID 2776260

Nonadecafluorononyl bromide

Structural Information

Molecular Formula
C9BrF19
SMILES
C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)Br)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9BrF19/c10-8(25,26)6(21,22)4(17,18)2(13,14)1(11,12)3(15,16)5(19,20)7(23,24)9(27,28)29
InChIKey
OWIAIPIQXHPUHV-UHFFFAOYSA-N
Compound name
1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

55
Patents

547.888 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 548.89528 189.9
[M+Na]+ 570.87722 195.5
[M-H]- 546.88072 196.0
[M+NH4]+ 565.92182 198.6
[M+K]+ 586.85116 204.0
[M+H-H2O]+ 530.88526 179.4
[M+HCOO]- 592.88620 209.1
[M+CH3COO]- 606.90185 239.7
[M+Na-2H]- 568.86267 189.5
[M]+ 547.88745 188.1
[M]- 547.88855 188.1
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