CID 54595313

7-fluoro-2-methyl-3,4-dihydro-2h-1,4-benzoxazine

Structural Information

Molecular Formula
C9H10FNO
SMILES
CC1CNC2=C(O1)C=C(C=C2)F
InChI
InChI=1S/C9H10FNO/c1-6-5-11-8-3-2-7(10)4-9(8)12-6/h2-4,6,11H,5H2,1H3
InChIKey
TUCOPQDVSOYYQZ-UHFFFAOYSA-N
Compound name
7-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

167.07465 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.08193 134.0
[M+Na]+ 190.06387 147.0
[M+NH4]+ 185.10847 142.8
[M+K]+ 206.03781 140.5
[M-H]- 166.06737 136.2
[M+Na-2H]- 188.04932 139.2
[M]+ 167.07410 136.4
[M]- 167.07520 136.4
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