CID 73792

1559-86-0

Structural Information

Molecular Formula
C6HBrF4
SMILES
C1=C(C(=C(C(=C1F)Br)F)F)F
InChI
InChI=1S/C6HBrF4/c7-4-2(8)1-3(9)5(10)6(4)11/h1H
InChIKey
AHJRONLVHNFUNH-UHFFFAOYSA-N
Compound name
2-bromo-1,3,4,5-tetrafluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

227.91978 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.92706 134.2
[M+Na]+ 250.90900 149.6
[M-H]- 226.91250 136.8
[M+NH4]+ 245.95360 156.6
[M+K]+ 266.88294 137.7
[M+H-H2O]+ 210.91704 132.1
[M+HCOO]- 272.91798 153.0
[M+CH3COO]- 286.93363 188.3
[M+Na-2H]- 248.89445 139.6
[M]+ 227.91923 148.3
[M]- 227.92033 148.3
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