CID 12279206

59899-84-2

Structural Information

Molecular Formula
C8H7FN2O
SMILES
C1=CC2=C(C=C1F)C(=NO2)CN
InChI
InChI=1S/C8H7FN2O/c9-5-1-2-8-6(3-5)7(4-10)11-12-8/h1-3H,4,10H2
InChIKey
CXQIADUXTGWQFF-UHFFFAOYSA-N
Compound name
(5-fluoro-1,2-benzoxazol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.05424 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.061516 128.3
[M+Na]+ 189.043458 139.8
[M-H]- 165.046964 131.6
[M+NH4]+ 184.088063 149.2
[M+K]+ 205.017398 137.7
[M+H-H2O]+ 149.051500 121.5
[M+HCOO]- 211.052441 152.8
[M+CH3COO]- 225.068091 143.3
[M+Na-2H]- 187.028906 136.9
[M]+ 166.05369142 129.5
[M]- 166.05478858 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.