CID 117771154

4-fluoro-2-methyl-1,3-benzoxazol-6-amine

Structural Information

Molecular Formula
C8H7FN2O
SMILES
CC1=NC2=C(O1)C=C(C=C2F)N
InChI
InChI=1S/C8H7FN2O/c1-4-11-8-6(9)2-5(10)3-7(8)12-4/h2-3H,10H2,1H3
InChIKey
FCYIOJFFULKXCL-UHFFFAOYSA-N
Compound name
4-fluoro-2-methyl-1,3-benzoxazol-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

166.05424 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.06152 128.6
[M+Na]+ 189.04346 141.1
[M-H]- 165.04696 132.3
[M+NH4]+ 184.08806 149.9
[M+K]+ 205.01740 139.0
[M+H-H2O]+ 149.05150 122.1
[M+HCOO]- 211.05244 153.1
[M+CH3COO]- 225.06809 144.0
[M+Na-2H]- 187.02891 136.5
[M]+ 166.05369 130.2
[M]- 166.05479 130.2
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