CID 134691050

5-bromo-2-fluoro-4-[1-(methoxymethoxy)ethyl]benzaldehyde

Structural Information

Molecular Formula
C11H12BrFO3
SMILES
CC(C1=C(C=C(C(=C1)F)C=O)Br)OCOC
InChI
InChI=1S/C11H12BrFO3/c1-7(16-6-15-2)9-4-11(13)8(5-14)3-10(9)12/h3-5,7H,6H2,1-2H3
InChIKey
HLUKUGPZGLPNSH-UHFFFAOYSA-N
Compound name
5-bromo-2-fluoro-4-[1-(methoxymethoxy)ethyl]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.9954 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.002676 153.6
[M+Na]+ 312.984618 165.7
[M-H]- 288.988124 159.0
[M+NH4]+ 308.029223 173.4
[M+K]+ 328.958558 155.2
[M+H-H2O]+ 272.992660 152.5
[M+HCOO]- 334.993601 173.7
[M+CH3COO]- 349.009251 198.9
[M+Na-2H]- 310.970066 157.8
[M]+ 289.99485142 175.5
[M]- 289.99594858 175.5
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.