CID 14169817

135533-78-7

Structural Information

Molecular Formula
C7H3ClFNO
SMILES
C1=CC2=C(C=C1F)N=C(O2)Cl
InChI
InChI=1S/C7H3ClFNO/c8-7-10-5-3-4(9)1-2-6(5)11-7/h1-3H
InChIKey
QFKHKBJLBBASAZ-UHFFFAOYSA-N
Compound name
2-chloro-5-fluoro-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

140
Patents

170.98872 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.99600 125.9
[M+Na]+ 193.97794 141.4
[M+NH4]+ 189.02254 135.4
[M+K]+ 209.95188 136.0
[M-H]- 169.98144 128.3
[M+Na-2H]- 191.96339 133.2
[M]+ 170.98817 129.1
[M]- 170.98927 129.1
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