CID 75355763

8-chloro-2-methyl-3,4-dihydro-2h-1,4-benzoxazine

Structural Information

Molecular Formula
C9H10ClNO
SMILES
CC1CNC2=C(O1)C(=CC=C2)Cl
InChI
InChI=1S/C9H10ClNO/c1-6-5-11-8-4-2-3-7(10)9(8)12-6/h2-4,6,11H,5H2,1H3
InChIKey
KMCYRJUINMFXIX-UHFFFAOYSA-N
Compound name
8-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.04509 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.05237 134.9
[M+Na]+ 206.03431 149.9
[M+NH4]+ 201.07891 144.9
[M+K]+ 222.00825 142.5
[M-H]- 182.03781 138.8
[M+Na-2H]- 204.01976 141.2
[M]+ 183.04454 138.5
[M]- 183.04564 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.