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]+ 183.03197 133.0
[M+Na]+ 205.01391 146.3
[M-H]- 181.01741 138.2
[M+NH4]+ 200.05851 154.6
[M+K]+ 220.98785 142.5
[M+H-H2O]+ 165.02195 127.9
[M+HCOO]- 227.02289 154.4
[M+CH3COO]- 241.03854 148.6
[M+Na-2H]- 202.99936 141.7
[M]+ 182.02414 137.8
[M]- 182.02524 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.