CID 62785400

4,6-difluoro-1,3-benzoxazol-2-amine

Structural Information

Molecular Formula
C7H4F2N2O
SMILES
C1=C(C=C(C2=C1OC(=N2)N)F)F
InChI
InChI=1S/C7H4F2N2O/c8-3-1-4(9)6-5(2-3)12-7(10)11-6/h1-2H,(H2,10,11)
InChIKey
GRUJYULCYAYSAF-UHFFFAOYSA-N
Compound name
4,6-difluoro-1,3-benzoxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.02917 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.03645 126.3
[M+Na]+ 193.01839 139.2
[M-H]- 169.02189 128.7
[M+NH4]+ 188.06299 147.3
[M+K]+ 208.99233 136.9
[M+H-H2O]+ 153.02643 119.0
[M+HCOO]- 215.02737 150.0
[M+CH3COO]- 229.04302 141.5
[M+Na-2H]- 191.00384 134.2
[M]+ 170.02862 126.4
[M]- 170.02972 126.4
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

No patent data available for this compound.