CID 3367022

2-(4-bromo-2-formylphenoxy)propanoic acid

Structural Information

Molecular Formula
C10H9BrO4
SMILES
CC(C(=O)O)OC1=C(C=C(C=C1)Br)C=O
InChI
InChI=1S/C10H9BrO4/c1-6(10(13)14)15-9-3-2-8(11)4-7(9)5-12/h2-6H,1H3,(H,13,14)
InChIKey
RWXQZBNVNBRZCH-UHFFFAOYSA-N
Compound name
2-(4-bromo-2-formylphenoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

271.9684 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.97568 147.9
[M+Na]+ 294.95762 158.8
[M-H]- 270.96112 153.0
[M+NH4]+ 290.00222 167.1
[M+K]+ 310.93156 148.5
[M+H-H2O]+ 254.96566 147.7
[M+HCOO]- 316.96660 167.2
[M+CH3COO]- 330.98225 192.1
[M+Na-2H]- 292.94307 152.3
[M]+ 271.96785 168.4
[M]- 271.96895 168.4
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