CID 13670570

4-bromo-2,3,5,6-tetrafluorobenzaldehyde

Structural Information

Molecular Formula
C7HBrF4O
SMILES
C(=O)C1=C(C(=C(C(=C1F)F)Br)F)F
InChI
InChI=1S/C7HBrF4O/c8-3-6(11)4(9)2(1-13)5(10)7(3)12/h1H
InChIKey
ABQIERQXAUMNCS-UHFFFAOYSA-N
Compound name
4-bromo-2,3,5,6-tetrafluorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

140
Patents

255.91469 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.92197 139.3
[M+Na]+ 278.90391 155.3
[M-H]- 254.90741 142.1
[M+NH4]+ 273.94851 160.8
[M+K]+ 294.87785 143.1
[M+H-H2O]+ 238.91195 137.0
[M+HCOO]- 300.91289 158.1
[M+CH3COO]- 314.92854 193.2
[M+Na-2H]- 276.88936 143.5
[M]+ 255.91414 154.8
[M]- 255.91524 154.8
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