CID 14748832

153403-53-3

Structural Information

Molecular Formula
C7H3ClFNO
SMILES
C1=CC2=C(C=C1F)OC(=N2)Cl
InChI
InChI=1S/C7H3ClFNO/c8-7-10-5-2-1-4(9)3-6(5)11-7/h1-3H
InChIKey
SABSNTHFVVOJMX-UHFFFAOYSA-N
Compound name
2-chloro-6-fluoro-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
Patents

170.98872 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.995996 125.5
[M+Na]+ 193.977938 139.0
[M-H]- 169.981444 129.1
[M+NH4]+ 189.022543 147.6
[M+K]+ 209.951878 135.8
[M+H-H2O]+ 153.985980 119.8
[M+HCOO]- 215.986921 145.1
[M+CH3COO]- 230.002571 141.3
[M+Na-2H]- 191.963386 134.7
[M]+ 170.98817142 129.9
[M]- 170.98926858 129.9
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

patents stripe