CID 2773411

1-bromo-1,1,2,2-tetrafluorooctane

Structural Information

Molecular Formula
C8H13BrF4
SMILES
CCCCCCC(C(F)(F)Br)(F)F
InChI
InChI=1S/C8H13BrF4/c1-2-3-4-5-6-7(10,11)8(9,12)13/h2-6H2,1H3
InChIKey
JBQWCKCORXWVOG-UHFFFAOYSA-N
Compound name
1-bromo-1,1,2,2-tetrafluorooctane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

264.01367 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.02095 155.9
[M+Na]+ 287.00289 166.8
[M-H]- 263.00639 153.9
[M+NH4]+ 282.04749 176.2
[M+K]+ 302.97683 155.2
[M+H-H2O]+ 247.01093 153.8
[M+HCOO]- 309.01187 169.5
[M+CH3COO]- 323.02752 195.1
[M+Na-2H]- 284.98834 161.1
[M]+ 264.01312 170.1
[M]- 264.01422 170.1
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