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 127.6
[M+Na]+ 211.96852 142.1
[M-H]- 187.97202 130.2
[M+NH4]+ 207.01312 149.2
[M+K]+ 227.94246 138.4
[M+H-H2O]+ 171.97656 121.2
[M+HCOO]- 233.97750 146.2
[M+CH3COO]- 247.99315 143.2
[M+Na-2H]- 209.95397 135.5
[M]+ 188.97875 131.3
[M]- 188.97985 131.3
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