CID 2782746

5-fluoro-2-methoxybenzonitrile

Structural Information

Molecular Formula
C8H6FNO
SMILES
COC1=C(C=C(C=C1)F)C#N
InChI
InChI=1S/C8H6FNO/c1-11-8-3-2-7(9)4-6(8)5-10/h2-4H,1H3
InChIKey
XNCVSNKXADJGOG-UHFFFAOYSA-N
Compound name
5-fluoro-2-methoxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

127
Patents

151.04333 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.05061 125.5
[M+Na]+ 174.03255 137.1
[M-H]- 150.03605 128.2
[M+NH4]+ 169.07715 145.0
[M+K]+ 190.00649 134.5
[M+H-H2O]+ 134.04059 113.1
[M+HCOO]- 196.04153 146.1
[M+CH3COO]- 210.05718 189.3
[M+Na-2H]- 172.01800 132.1
[M]+ 151.04278 121.0
[M]- 151.04388 121.0
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