CID 46396

64037-23-6

Structural Information

Molecular Formula
C8H7ClN2O
SMILES
CN1C2=C(C=CC(=C2)Cl)OC1=N
InChI
InChI=1S/C8H7ClN2O/c1-11-6-4-5(9)2-3-7(6)12-8(11)10/h2-4,10H,1H3
InChIKey
IHHFWUALAIRFQB-UHFFFAOYSA-N
Compound name
5-chloro-3-methyl-1,3-benzoxazol-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.02469 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.031966 133.0
[M+Na]+ 205.013908 146.3
[M-H]- 181.017414 138.2
[M+NH4]+ 200.058513 154.6
[M+K]+ 220.987848 142.5
[M+H-H2O]+ 165.021950 127.9
[M+HCOO]- 227.022891 154.4
[M+CH3COO]- 241.038541 148.6
[M+Na-2H]- 202.999356 141.7
[M]+ 182.02414142 137.8
[M]- 182.02523858 137.8
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.