CID 155383661

4-bromo-2,3-difluoro-5-iodobenzaldehyde

Structural Information

Molecular Formula
C7H2BrF2IO
SMILES
C1=C(C(=C(C(=C1I)Br)F)F)C=O
InChI
InChI=1S/C7H2BrF2IO/c8-5-4(11)1-3(2-12)6(9)7(5)10/h1-2H
InChIKey
HKJIYVCXGSDUDW-UHFFFAOYSA-N
Compound name
4-bromo-2,3-difluoro-5-iodobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

345.83017 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.83745 143.1
[M+Na]+ 368.81939 151.0
[M-H]- 344.82289 141.4
[M+NH4]+ 363.86399 160.3
[M+K]+ 384.79333 145.3
[M+H-H2O]+ 328.82743 138.7
[M+HCOO]- 390.82837 159.1
[M+CH3COO]- 404.84402 197.2
[M+Na-2H]- 366.80484 137.8
[M]+ 345.82962 157.4
[M]- 345.83072 157.4
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