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]+ 291.00268 153.6
[M+Na]+ 312.98462 165.7
[M-H]- 288.98812 159.0
[M+NH4]+ 308.02922 173.4
[M+K]+ 328.95856 155.2
[M+H-H2O]+ 272.99266 152.5
[M+HCOO]- 334.99360 173.7
[M+CH3COO]- 349.00925 198.9
[M+Na-2H]- 310.97007 157.8
[M]+ 289.99485 175.5
[M]- 289.99595 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.