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]+ 200.02730 135.3
[M+Na]+ 222.00924 148.0
[M-H]- 198.01274 138.6
[M+NH4]+ 217.05384 156.3
[M+K]+ 237.98318 144.3
[M+H-H2O]+ 182.01728 129.1
[M+HCOO]- 244.01822 154.3
[M+CH3COO]- 258.03387 150.2
[M+Na-2H]- 219.99469 143.4
[M]+ 199.01947 140.4
[M]- 199.02057 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.