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

12
Patents

179.03825 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.04553 131.2
[M+Na]+ 202.02747 143.3
[M-H]- 178.03097 134.1
[M+NH4]+ 197.07207 149.8
[M+K]+ 218.00141 140.7
[M+H-H2O]+ 162.03551 118.7
[M+HCOO]- 224.03645 151.9
[M+CH3COO]- 238.05210 194.0
[M+Na-2H]- 200.01292 136.6
[M]+ 179.03770 128.0
[M]- 179.03880 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