CID 75355760

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 132.1
[M+Na]+ 190.06387 140.6
[M-H]- 166.06737 133.3
[M+NH4]+ 185.10847 150.7
[M+K]+ 206.03781 138.3
[M+H-H2O]+ 150.07191 125.1
[M+HCOO]- 212.07285 149.2
[M+CH3COO]- 226.08850 144.9
[M+Na-2H]- 188.04932 140.0
[M]+ 167.07410 128.3
[M]- 167.07520 128.3
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.