CID 164659273

3-(chloromethyl)-5,5-difluoro-4,5,6,7-tetrahydro-1,2-benzoxazole

Structural Information

Molecular Formula
C8H8ClF2NO
SMILES
C1CC(CC2=C1ON=C2CCl)(F)F
InChI
InChI=1S/C8H8ClF2NO/c9-4-6-5-3-8(10,11)2-1-7(5)13-12-6/h1-4H2
InChIKey
UANCOGIYLWTSET-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-5,5-difluoro-6,7-dihydro-4H-1,2-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.02625 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.03353 136.4
[M+Na]+ 230.01547 147.4
[M-H]- 206.01897 137.7
[M+NH4]+ 225.06007 158.7
[M+K]+ 245.98941 144.1
[M+H-H2O]+ 190.02351 130.0
[M+HCOO]- 252.02445 150.4
[M+CH3COO]- 266.04010 149.9
[M+Na-2H]- 228.00092 142.6
[M]+ 207.02570 135.9
[M]- 207.02680 135.9
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.