CID 131348528

2092863-60-8

Structural Information

Molecular Formula
C8H3BrClF3O
SMILES
C1=CC(=C(C(=C1C(F)(F)F)Br)C=O)Cl
InChI
InChI=1S/C8H3BrClF3O/c9-7-4(3-14)6(10)2-1-5(7)8(11,12)13/h1-3H
InChIKey
RZCUGFRIWVSQQL-UHFFFAOYSA-N
Compound name
2-bromo-6-chloro-3-(trifluoromethyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.9008 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.90808 146.9
[M+Na]+ 308.89002 162.3
[M-H]- 284.89352 150.4
[M+NH4]+ 303.93462 167.9
[M+K]+ 324.86396 148.6
[M+H-H2O]+ 268.89806 146.3
[M+HCOO]- 330.89900 160.8
[M+CH3COO]- 344.91465 194.4
[M+Na-2H]- 306.87547 152.9
[M]+ 285.90025 164.6
[M]- 285.90135 164.6
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.