CID 25219794

6-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/c1-6-5-11-8-4-7(10)2-3-9(8)12-6/h2-4,6,11H,5H2,1H3
InChIKey
CEDHFNZEZCCEMX-UHFFFAOYSA-N
Compound name
6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
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 135.4
[M+Na]+ 206.03431 144.6
[M-H]- 182.03781 137.7
[M+NH4]+ 201.07891 154.3
[M+K]+ 222.00825 141.0
[M+H-H2O]+ 166.04235 130.0
[M+HCOO]- 228.04329 148.9
[M+CH3COO]- 242.05894 148.4
[M+Na-2H]- 204.01976 143.3
[M]+ 183.04454 134.7
[M]- 183.04564 134.7
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

patents stripe