CID 14169824

2,5-dichloro-7-methyl-1,3-benzoxazole

Structural Information

Molecular Formula
C8H5Cl2NO
SMILES
CC1=CC(=CC2=C1OC(=N2)Cl)Cl
InChI
InChI=1S/C8H5Cl2NO/c1-4-2-5(9)3-6-7(4)12-8(10)11-6/h2-3H,1H3
InChIKey
OZSHCLAIZGBQOB-UHFFFAOYSA-N
Compound name
2,5-dichloro-7-methyl-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.97482 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.98210 135.4
[M+Na]+ 223.96404 149.6
[M-H]- 199.96754 139.7
[M+NH4]+ 219.00864 156.9
[M+K]+ 239.93798 145.2
[M+H-H2O]+ 183.97208 131.1
[M+HCOO]- 245.97302 150.3
[M+CH3COO]- 259.98867 150.7
[M+Na-2H]- 221.94949 142.8
[M]+ 200.97427 142.4
[M]- 200.97537 142.4
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