CID 17750853

33564-68-0

Structural Information

Molecular Formula
C7H3BrF4
SMILES
CC1=C(C(=C(C(=C1F)F)Br)F)F
InChI
InChI=1S/C7H3BrF4/c1-2-4(9)6(11)3(8)7(12)5(2)10/h1H3
InChIKey
CXHWIERFOQRRTJ-UHFFFAOYSA-N
Compound name
1-bromo-2,3,5,6-tetrafluoro-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

241.93542 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.94270 138.2
[M+Na]+ 264.92464 154.0
[M-H]- 240.92814 141.0
[M+NH4]+ 259.96924 160.3
[M+K]+ 280.89858 141.9
[M+H-H2O]+ 224.93268 136.0
[M+HCOO]- 286.93362 156.6
[M+CH3COO]- 300.94927 192.2
[M+Na-2H]- 262.91009 142.4
[M]+ 241.93487 152.9
[M]- 241.93597 152.9
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