CID 28973368

2-(difluoromethyl)-1,3-benzoxazol-6-amine

Structural Information

Molecular Formula
C8H6F2N2O
SMILES
C1=CC2=C(C=C1N)OC(=N2)C(F)F
InChI
InChI=1S/C8H6F2N2O/c9-7(10)8-12-5-2-1-4(11)3-6(5)13-8/h1-3,7H,11H2
InChIKey
MTZFGHUDPYQSHR-UHFFFAOYSA-N
Compound name
2-(difluoromethyl)-1,3-benzoxazol-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.04482 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.052096 131.7
[M+Na]+ 207.034038 142.9
[M-H]- 183.037544 133.6
[M+NH4]+ 202.078643 151.7
[M+K]+ 223.007978 140.8
[M+H-H2O]+ 167.042080 124.0
[M+HCOO]- 229.043021 154.1
[M+CH3COO]- 243.058671 182.8
[M+Na-2H]- 205.019486 138.5
[M]+ 184.04427142 131.1
[M]- 184.04536858 131.1
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.