CID 28973367

2-(difluoromethyl)-1,3-benzoxazol-5-amine

Structural Information

Molecular Formula
C8H6F2N2O
SMILES
C1=CC2=C(C=C1N)N=C(O2)C(F)F
InChI
InChI=1S/C8H6F2N2O/c9-7(10)8-12-5-3-4(11)1-2-6(5)13-8/h1-3,7H,11H2
InChIKey
VJGJATZIZXZSJY-UHFFFAOYSA-N
Compound name
2-(difluoromethyl)-1,3-benzoxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

184.04482 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.05210 131.7
[M+Na]+ 207.03404 142.9
[M-H]- 183.03754 133.6
[M+NH4]+ 202.07864 151.7
[M+K]+ 223.00798 140.8
[M+H-H2O]+ 167.04208 124.0
[M+HCOO]- 229.04302 154.1
[M+CH3COO]- 243.05867 182.8
[M+Na-2H]- 205.01949 138.5
[M]+ 184.04427 131.1
[M]- 184.04537 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

patents stripe