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]+ 208.033526 136.4
[M+Na]+ 230.015468 147.4
[M-H]- 206.018974 137.7
[M+NH4]+ 225.060073 158.7
[M+K]+ 245.989408 144.1
[M+H-H2O]+ 190.023510 130.0
[M+HCOO]- 252.024451 150.4
[M+CH3COO]- 266.040101 149.9
[M+Na-2H]- 228.000916 142.6
[M]+ 207.02570142 135.9
[M]- 207.02679858 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.