CID 2774258

2-fluoro-4,5-dimethoxybenzonitrile

Structural Information

Molecular Formula
C9H8FNO2
SMILES
COC1=C(C=C(C(=C1)C#N)F)OC
InChI
InChI=1S/C9H8FNO2/c1-12-8-3-6(5-11)7(10)4-9(8)13-2/h3-4H,1-2H3
InChIKey
QZKGCLSVCWWARO-UHFFFAOYSA-N
Compound name
2-fluoro-4,5-dimethoxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

181.05391 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.06119 131.3
[M+Na]+ 204.04313 143.2
[M-H]- 180.04663 134.3
[M+NH4]+ 199.08773 150.0
[M+K]+ 220.01707 141.2
[M+H-H2O]+ 164.05117 118.8
[M+HCOO]- 226.05211 151.9
[M+CH3COO]- 240.06776 194.8
[M+Na-2H]- 202.02858 136.9
[M]+ 181.05336 128.8
[M]- 181.05446 128.8
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