CID 12279147

3-(2-chloroethyl)-6-fluoro-1,2-benzoxazole

Structural Information

Molecular Formula
C9H7ClFNO
SMILES
C1=CC2=C(C=C1F)ON=C2CCCl
InChI
InChI=1S/C9H7ClFNO/c10-4-3-8-7-2-1-6(11)5-9(7)13-12-8/h1-2,5H,3-4H2
InChIKey
IUIMCOKHDFNCIY-UHFFFAOYSA-N
Compound name
3-(2-chloroethyl)-6-fluoro-1,2-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.02002 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.027296 135.3
[M+Na]+ 222.009238 148.0
[M-H]- 198.012744 138.6
[M+NH4]+ 217.053843 156.3
[M+K]+ 237.983178 144.3
[M+H-H2O]+ 182.017280 129.1
[M+HCOO]- 244.018221 154.3
[M+CH3COO]- 258.033871 150.2
[M+Na-2H]- 219.994686 143.4
[M]+ 199.01947142 140.4
[M]- 199.02056858 140.4
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.