CID 2779255

3-fluoro-4-methoxybenzoyl chloride

Structural Information

Molecular Formula
C8H6ClFO2
SMILES
COC1=C(C=C(C=C1)C(=O)Cl)F
InChI
InChI=1S/C8H6ClFO2/c1-12-7-3-2-5(8(9)11)4-6(7)10/h2-4H,1H3
InChIKey
LOSBAHQDKBWMBY-UHFFFAOYSA-N
Compound name
3-fluoro-4-methoxybenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

308
Patents

188.00403 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.01131 132.7
[M+Na]+ 210.99325 146.2
[M+NH4]+ 206.03785 141.0
[M+K]+ 226.96719 139.8
[M-H]- 186.99675 133.3
[M+Na-2H]- 208.97870 139.4
[M]+ 188.00348 135.0
[M]- 188.00458 135.0
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