CID 15428739

153403-52-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

170.98872 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.99600 125.5
[M+Na]+ 193.97794 139.0
[M-H]- 169.98144 129.1
[M+NH4]+ 189.02254 147.6
[M+K]+ 209.95188 135.8
[M+H-H2O]+ 153.98598 119.8
[M+HCOO]- 215.98692 145.1
[M+CH3COO]- 230.00257 141.3
[M+Na-2H]- 191.96339 134.7
[M]+ 170.98817 129.9
[M]- 170.98927 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