CID 155820023

2023942-26-7

Structural Information

Molecular Formula
C8H9F2NO2
SMILES
C1CC(CC2=C1ON=C2CO)(F)F
InChI
InChI=1S/C8H9F2NO2/c9-8(10)2-1-7-5(3-8)6(4-12)11-13-7/h12H,1-4H2
InChIKey
YDNKJEVCNDQVMC-UHFFFAOYSA-N
Compound name
(5,5-difluoro-6,7-dihydro-4H-1,2-benzoxazol-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.06013 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.06741 134.1
[M+Na]+ 212.04935 143.8
[M-H]- 188.05285 134.3
[M+NH4]+ 207.09395 155.5
[M+K]+ 228.02329 142.1
[M+H-H2O]+ 172.05739 127.4
[M+HCOO]- 234.05833 151.4
[M+CH3COO]- 248.07398 177.7
[M+Na-2H]- 210.03480 140.5
[M]+ 189.05958 131.3
[M]- 189.06068 131.3
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.