CID 10103886

143708-36-5

Structural Information

Molecular Formula
C8H5ClFNO
SMILES
C1=CC2=C(C=C1F)OC(=N2)CCl
InChI
InChI=1S/C8H5ClFNO/c9-4-8-11-6-2-1-5(10)3-7(6)12-8/h1-3H,4H2
InChIKey
JVUWLFQJNVEUSF-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-6-fluoro-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

185.00436 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.01164 130.6
[M+Na]+ 207.99358 145.9
[M+NH4]+ 203.03818 140.0
[M+K]+ 223.96752 140.3
[M-H]- 183.99708 132.9
[M+Na-2H]- 205.97903 137.6
[M]+ 185.00381 133.8
[M]- 185.00491 133.8
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