CID 23233284

2396-23-8

Structural Information

Molecular Formula
C9H4BrF7
SMILES
C1=CC(=CC=C1C(C(F)(F)F)(C(F)(F)F)F)Br
InChI
InChI=1S/C9H4BrF7/c10-6-3-1-5(2-4-6)7(11,8(12,13)14)9(15,16)17/h1-4H
InChIKey
WMHKRCCSOYETGK-UHFFFAOYSA-N
Compound name
1-bromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
Patents

323.93845 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.94573 165.6
[M+Na]+ 346.92767 178.7
[M-H]- 322.93117 163.9
[M+NH4]+ 341.97227 183.4
[M+K]+ 362.90161 166.0
[M+H-H2O]+ 306.93571 161.0
[M+HCOO]- 368.93665 175.8
[M+CH3COO]- 382.95230 201.8
[M+Na-2H]- 344.91312 170.7
[M]+ 323.93790 173.7
[M]- 323.93900 173.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe