CID 20754758

3-fluoro-2-methoxybenzonitrile

Structural Information

Molecular Formula
C8H6FNO
SMILES
COC1=C(C=CC=C1F)C#N
InChI
InChI=1S/C8H6FNO/c1-11-8-6(5-10)3-2-4-7(8)9/h2-4H,1H3
InChIKey
XSWPZUMXEKDICZ-UHFFFAOYSA-N
Compound name
3-fluoro-2-methoxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

151.04333 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.050606 125.5
[M+Na]+ 174.032548 137.1
[M-H]- 150.036054 128.2
[M+NH4]+ 169.077153 145.0
[M+K]+ 190.006488 134.5
[M+H-H2O]+ 134.040590 113.1
[M+HCOO]- 196.041531 146.1
[M+CH3COO]- 210.057181 189.3
[M+Na-2H]- 172.017996 132.1
[M]+ 151.04278142 121.0
[M]- 151.04387858 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