CID 62368889

5-chloro-7-methyl-1,3-benzoxazol-2-amine

Structural Information

Molecular Formula
C8H7ClN2O
SMILES
CC1=CC(=CC2=C1OC(=N2)N)Cl
InChI
InChI=1S/C8H7ClN2O/c1-4-2-5(9)3-6-7(4)12-8(10)11-6/h2-3H,1H3,(H2,10,11)
InChIKey
GJFBSBJBPSHPJC-UHFFFAOYSA-N
Compound name
5-chloro-7-methyl-1,3-benzoxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.02469 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.03197 134.0
[M+Na]+ 205.01391 147.1
[M-H]- 181.01741 138.7
[M+NH4]+ 200.05851 155.4
[M+K]+ 220.98785 143.6
[M+H-H2O]+ 165.02195 128.9
[M+HCOO]- 227.02289 154.7
[M+CH3COO]- 241.03854 149.3
[M+Na-2H]- 202.99936 141.7
[M]+ 182.02414 138.5
[M]- 182.02524 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

No patent data available for this compound.