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

67
Patents

241.93542 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.942696 138.2
[M+Na]+ 264.924638 154.0
[M-H]- 240.928144 141.0
[M+NH4]+ 259.969243 160.3
[M+K]+ 280.898578 141.9
[M+H-H2O]+ 224.932680 136.0
[M+HCOO]- 286.933621 156.6
[M+CH3COO]- 300.949271 192.2
[M+Na-2H]- 262.910086 142.4
[M]+ 241.93487142 152.9
[M]- 241.93596858 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