CID 14492393

59665-23-5

Structural Information

Molecular Formula
C6H2BrF9
SMILES
C=C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Br
InChI
InChI=1S/C6H2BrF9/c1-2(7)3(8,9)4(10,11)5(12,13)6(14,15)16/h1H2
InChIKey
KSQRGPQLCIXCCL-UHFFFAOYSA-N
Compound name
2-bromo-3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

33
Patents

323.91962 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.92690 164.4
[M+Na]+ 346.90884 176.9
[M-H]- 322.91234 157.5
[M+NH4]+ 341.95344 181.5
[M+K]+ 362.88278 164.7
[M+H-H2O]+ 306.91688 159.2
[M+HCOO]- 368.91782 169.9
[M+CH3COO]- 382.93347 203.5
[M+Na-2H]- 344.89429 167.6
[M]+ 323.91907 167.8
[M]- 323.92017 167.8
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

patents stripe