CID 81474123

2,5-dibromo-4-methylbenzaldehyde

Structural Information

Molecular Formula
C8H6Br2O
SMILES
CC1=CC(=C(C=C1Br)C=O)Br
InChI
InChI=1S/C8H6Br2O/c1-5-2-8(10)6(4-11)3-7(5)9/h2-4H,1H3
InChIKey
ZRLRTUFATSTXBQ-UHFFFAOYSA-N
Compound name
2,5-dibromo-4-methylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.87854 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.88582 133.2
[M+Na]+ 298.86776 145.6
[M-H]- 274.87126 140.6
[M+NH4]+ 293.91236 153.6
[M+K]+ 314.84170 130.3
[M+H-H2O]+ 258.87580 141.7
[M+HCOO]- 320.87674 150.3
[M+CH3COO]- 334.89239 201.1
[M+Na-2H]- 296.85321 140.7
[M]+ 275.87799 168.1
[M]- 275.87909 168.1
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.