CID 11535637

5,6-difluorobenzo[d]oxazol-2(3h)-one

Structural Information

Molecular Formula
C7H3F2NO2
SMILES
C1=C2C(=CC(=C1F)F)OC(=O)N2
InChI
InChI=1S/C7H3F2NO2/c8-3-1-5-6(2-4(3)9)12-7(11)10-5/h1-2H,(H,10,11)
InChIKey
FHIXRLXLYMWKKM-UHFFFAOYSA-N
Compound name
5,6-difluoro-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

171.01318 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.02046 124.1
[M+Na]+ 194.00240 137.7
[M-H]- 170.00590 125.7
[M+NH4]+ 189.04700 144.9
[M+K]+ 209.97634 134.8
[M+H-H2O]+ 154.01044 117.4
[M+HCOO]- 216.01138 146.3
[M+CH3COO]- 230.02703 174.6
[M+Na-2H]- 191.98785 132.2
[M]+ 171.01263 124.8
[M]- 171.01373 124.8
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