CID 2783331

1998-61-4

Structural Information

Molecular Formula
C6HBrF4O
SMILES
C1(=C(C(=C(C(=C1F)F)Br)F)F)O
InChI
InChI=1S/C6HBrF4O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
InChIKey
ZBYSEVWUBQSGKC-UHFFFAOYSA-N
Compound name
4-bromo-2,3,5,6-tetrafluorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

243.91469 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.92197 137.5
[M+Na]+ 266.90391 153.1
[M-H]- 242.90741 139.1
[M+NH4]+ 261.94851 158.8
[M+K]+ 282.87785 140.8
[M+H-H2O]+ 226.91195 135.4
[M+HCOO]- 288.91289 155.0
[M+CH3COO]- 302.92854 188.8
[M+Na-2H]- 264.88936 141.6
[M]+ 243.91414 151.5
[M]- 243.91524 151.5
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