CID 46397

64037-24-7

Structural Information

Molecular Formula
C8H7ClN2O
SMILES
CNC1=NC2=C(O1)C=CC(=C2)Cl
InChI
InChI=1S/C8H7ClN2O/c1-10-8-11-6-4-5(9)2-3-7(6)12-8/h2-4H,1H3,(H,10,11)
InChIKey
JCDFYLCJMXKBNO-UHFFFAOYSA-N
Compound name
5-chloro-N-methyl-1,3-benzoxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

182.02469 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.03197 133.2
[M+Na]+ 205.01391 145.4
[M-H]- 181.01741 138.0
[M+NH4]+ 200.05851 154.6
[M+K]+ 220.98785 142.2
[M+H-H2O]+ 165.02195 127.8
[M+HCOO]- 227.02289 154.5
[M+CH3COO]- 241.03854 148.5
[M+Na-2H]- 202.99936 142.7
[M]+ 182.02414 138.3
[M]- 182.02524 138.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe