CID 13555150

4-bromo-2-methylbenzaldehyde

Structural Information

Molecular Formula
C8H7BrO
SMILES
CC1=C(C=CC(=C1)Br)C=O
InChI
InChI=1S/C8H7BrO/c1-6-4-8(9)3-2-7(6)5-10/h2-5H,1H3
InChIKey
RCBPVESMGNZMSG-UHFFFAOYSA-N
Compound name
4-bromo-2-methylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

688
Patents

197.96803 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.97531 131.1
[M+Na]+ 220.95725 135.9
[M+NH4]+ 216.00185 136.8
[M+K]+ 236.93119 135.2
[M-H]- 196.96075 132.3
[M+Na-2H]- 218.94270 135.8
[M]+ 197.96748 131.0
[M]- 197.96858 131.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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