CID 12756849

(2,2,3,3,4,4,4-heptafluorobutyl)benzene

Structural Information

Molecular Formula
C10H7F7
SMILES
C1=CC=C(C=C1)CC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H7F7/c11-8(12,9(13,14)10(15,16)17)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
MKCLKYVGKLMDNW-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluorobutylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

260.0436 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.05088 172.8
[M+Na]+ 283.03282 176.7
[M+NH4]+ 278.07742 174.4
[M+K]+ 299.00676 172.5
[M-H]- 259.03632 165.9
[M+Na-2H]- 281.01827 173.0
[M]+ 260.04305 171.1
[M]- 260.04415 171.1
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