CID 59690604

2-chloro-5,7-difluoro-1,3-benzoxazole

Structural Information

Molecular Formula
C7H2ClF2NO
SMILES
C1=C(C=C(C2=C1N=C(O2)Cl)F)F
InChI
InChI=1S/C7H2ClF2NO/c8-7-11-5-2-3(9)1-4(10)6(5)12-7/h1-2H
InChIKey
KCSWFPYPFMHULB-UHFFFAOYSA-N
Compound name
2-chloro-5,7-difluoro-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

188.9793 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.98658 130.4
[M+Na]+ 211.96852 144.8
[M+NH4]+ 207.01312 138.8
[M+K]+ 227.94246 139.8
[M-H]- 187.97202 131.1
[M+Na-2H]- 209.95397 136.4
[M]+ 188.97875 132.9
[M]- 188.97985 132.9
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