CID 23233288

1-fluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene

Structural Information

Molecular Formula
C9H4F8
SMILES
C1=CC(=CC=C1C(C(F)(F)F)(C(F)(F)F)F)F
InChI
InChI=1S/C9H4F8/c10-6-3-1-5(2-4-6)7(11,8(12,13)14)9(15,16)17/h1-4H
InChIKey
NJXBUSGNXYPYDN-UHFFFAOYSA-N
Compound name
1-fluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

264.01852 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.02580 146.7
[M+Na]+ 287.00774 156.9
[M-H]- 263.01124 140.8
[M+NH4]+ 282.05234 163.2
[M+K]+ 302.98168 152.9
[M+H-H2O]+ 247.01578 135.4
[M+HCOO]- 309.01672 157.8
[M+CH3COO]- 323.03237 195.7
[M+Na-2H]- 284.99319 151.4
[M]+ 264.01797 134.9
[M]- 264.01907 134.9
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

patents stripe