CID 18519634

4-amino-5-fluoro-2-methoxybenzonitrile

Structural Information

Molecular Formula
C8H7FN2O
SMILES
COC1=CC(=C(C=C1C#N)F)N
InChI
InChI=1S/C8H7FN2O/c1-12-8-3-7(11)6(9)2-5(8)4-10/h2-3H,11H2,1H3
InChIKey
NTDRONIICFXXIB-UHFFFAOYSA-N
Compound name
4-amino-5-fluoro-2-methoxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

166.05424 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.061516 131.3
[M+Na]+ 189.043458 142.7
[M-H]- 165.046964 133.7
[M+NH4]+ 184.088063 149.9
[M+K]+ 205.017398 140.1
[M+H-H2O]+ 149.051500 118.7
[M+HCOO]- 211.052441 152.1
[M+CH3COO]- 225.068091 194.1
[M+Na-2H]- 187.028906 136.2
[M]+ 166.05369142 125.4
[M]- 166.05478858 125.4
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