CID 11275404

2-methyl-5-chloro-6-benzoxazolamine

Structural Information

Molecular Formula
C8H7ClN2O
SMILES
CC1=NC2=C(O1)C=C(C(=C2)Cl)N
InChI
InChI=1S/C8H7ClN2O/c1-4-11-7-2-5(9)6(10)3-8(7)12-4/h2-3H,10H2,1H3
InChIKey
VZICVFYCZDSEFK-UHFFFAOYSA-N
Compound name
5-chloro-2-methyl-1,3-benzoxazol-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

182.02469 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.031966 134.0
[M+Na]+ 205.013908 147.1
[M-H]- 181.017414 138.7
[M+NH4]+ 200.058513 155.4
[M+K]+ 220.987848 143.6
[M+H-H2O]+ 165.021950 128.9
[M+HCOO]- 227.022891 154.7
[M+CH3COO]- 241.038541 149.3
[M+Na-2H]- 202.999356 141.7
[M]+ 182.02414142 138.5
[M]- 182.02523858 138.5
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