CID 18357605

2-bromo-1-(diethoxymethyl)-4-fluorobenzene

Structural Information

Molecular Formula
C11H14BrFO2
SMILES
CCOC(C1=C(C=C(C=C1)F)Br)OCC
InChI
InChI=1S/C11H14BrFO2/c1-3-14-11(15-4-2)9-6-5-8(13)7-10(9)12/h5-7,11H,3-4H2,1-2H3
InChIKey
DHPSVWWHCBZFLP-UHFFFAOYSA-N
Compound name
2-bromo-1-(diethoxymethyl)-4-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

276.0161 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.02338 153.8
[M+Na]+ 299.00532 164.9
[M-H]- 275.00882 158.8
[M+NH4]+ 294.04992 173.9
[M+K]+ 314.97926 154.4
[M+H-H2O]+ 259.01336 152.6
[M+HCOO]- 321.01430 173.5
[M+CH3COO]- 335.02995 196.8
[M+Na-2H]- 296.99077 158.5
[M]+ 276.01555 174.5
[M]- 276.01665 174.5
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

patents stripe