CID 84652305

5-fluoro-3-methyl-1,2-benzoxazol-7-amine

Structural Information

Molecular Formula
C8H7FN2O
SMILES
CC1=NOC2=C1C=C(C=C2N)F
InChI
InChI=1S/C8H7FN2O/c1-4-6-2-5(9)3-7(10)8(6)12-11-4/h2-3H,10H2,1H3
InChIKey
GWQOHUFPIKEKNQ-UHFFFAOYSA-N
Compound name
5-fluoro-3-methyl-1,2-benzoxazol-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.05424 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.061516 128.6
[M+Na]+ 189.043458 141.1
[M-H]- 165.046964 132.3
[M+NH4]+ 184.088063 149.9
[M+K]+ 205.017398 139.0
[M+H-H2O]+ 149.051500 122.1
[M+HCOO]- 211.052441 153.1
[M+CH3COO]- 225.068091 144.0
[M+Na-2H]- 187.028906 136.5
[M]+ 166.05369142 130.2
[M]- 166.05478858 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

No patent data available for this compound.