CID 23070224

4-fluoro-3-formyl-2-methoxybenzonitrile

Structural Information

Molecular Formula
C9H6FNO2
SMILES
COC1=C(C=CC(=C1C=O)F)C#N
InChI
InChI=1S/C9H6FNO2/c1-13-9-6(4-11)2-3-8(10)7(9)5-12/h2-3,5H,1H3
InChIKey
JNJZQSBRRVYBMV-UHFFFAOYSA-N
Compound name
4-fluoro-3-formyl-2-methoxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

179.03825 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.045526 131.2
[M+Na]+ 202.027468 143.3
[M-H]- 178.030974 134.1
[M+NH4]+ 197.072073 149.8
[M+K]+ 218.001408 140.7
[M+H-H2O]+ 162.035510 118.7
[M+HCOO]- 224.036451 151.9
[M+CH3COO]- 238.052101 194.0
[M+Na-2H]- 200.012916 136.6
[M]+ 179.03770142 128.0
[M]- 179.03879858 128.0
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