CID 25219075

1158493-85-6

Structural Information

Molecular Formula
C8H7FN2O
SMILES
C1=CC2=C(C=C1F)N=C(O2)CN
InChI
InChI=1S/C8H7FN2O/c9-5-1-2-7-6(3-5)11-8(4-10)12-7/h1-3H,4,10H2
InChIKey
YUBZHWQAFHIACC-UHFFFAOYSA-N
Compound name
(5-fluoro-1,3-benzoxazol-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.05424 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.06152 128.3
[M+Na]+ 189.04346 139.8
[M-H]- 165.04696 131.6
[M+NH4]+ 184.08806 149.2
[M+K]+ 205.01740 137.7
[M+H-H2O]+ 149.05150 121.5
[M+HCOO]- 211.05244 152.8
[M+CH3COO]- 225.06809 143.3
[M+Na-2H]- 187.02891 136.9
[M]+ 166.05369 129.5
[M]- 166.05479 129.5
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.