CID 50997885

6-bromo-3-chloro-2,4-difluorobenzaldehyde

Structural Information

Molecular Formula
C7H2BrClF2O
SMILES
C1=C(C(=C(C(=C1Br)C=O)F)Cl)F
InChI
InChI=1S/C7H2BrClF2O/c8-4-1-5(10)6(9)7(11)3(4)2-12/h1-2H
InChIKey
DRKDSVOIFMRTJR-UHFFFAOYSA-N
Compound name
6-bromo-3-chloro-2,4-difluorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.89456 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.90184 136.3
[M+Na]+ 276.88378 152.5
[M-H]- 252.88728 141.3
[M+NH4]+ 271.92838 158.8
[M+K]+ 292.85772 139.1
[M+H-H2O]+ 236.89182 136.6
[M+HCOO]- 298.89276 153.0
[M+CH3COO]- 312.90841 190.4
[M+Na-2H]- 274.86923 142.4
[M]+ 253.89401 155.8
[M]- 253.89511 155.8
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

No patent data available for this compound.