CID 57319

Acetophenone, alpha-(1-chloro-2,2,3,3,4,4-hexafluorocyclobutyl)-

Structural Information

Molecular Formula
C12H7ClF6O
SMILES
C1=CC=C(C=C1)C(=O)CC2(C(C(C2(F)F)(F)F)(F)F)Cl
InChI
InChI=1S/C12H7ClF6O/c13-9(6-8(20)7-4-2-1-3-5-7)10(14,15)12(18,19)11(9,16)17/h1-5H,6H2
InChIKey
ZRAZGMYSXMCYAL-UHFFFAOYSA-N
Compound name
2-(1-chloro-2,2,3,3,4,4-hexafluorocyclobutyl)-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.00897 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.01625 155.1
[M+Na]+ 338.99819 167.8
[M-H]- 315.00169 156.1
[M+NH4]+ 334.04279 172.3
[M+K]+ 354.97213 164.2
[M+H-H2O]+ 299.00623 144.7
[M+HCOO]- 361.00717 166.3
[M+CH3COO]- 375.02282 206.1
[M+Na-2H]- 336.98364 159.0
[M]+ 316.00842 159.9
[M]- 316.00952 159.9
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.