CID 61084876

(1-bromo-2,2,3,3,3-pentafluoropropyl)benzene

Structural Information

Molecular Formula
C9H6BrF5
SMILES
C1=CC=C(C=C1)C(C(C(F)(F)F)(F)F)Br
InChI
InChI=1S/C9H6BrF5/c10-7(6-4-2-1-3-5-6)8(11,12)9(13,14)15/h1-5,7H
InChIKey
FXTOJERIBSAYFG-UHFFFAOYSA-N
Compound name
(1-bromo-2,2,3,3,3-pentafluoropropyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.9573 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.96458 157.2
[M+Na]+ 310.94652 168.7
[M-H]- 286.95002 157.3
[M+NH4]+ 305.99112 176.2
[M+K]+ 326.92046 156.7
[M+H-H2O]+ 270.95456 153.9
[M+HCOO]- 332.95550 170.1
[M+CH3COO]- 346.97115 196.1
[M+Na-2H]- 308.93197 162.5
[M]+ 287.95675 167.9
[M]- 287.95785 167.9
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.