CID 16244458

939759-08-7

Structural Information

Molecular Formula
C9H8F3NO
SMILES
C1COC2=C(C=CC=C2N1)C(F)(F)F
InChI
InChI=1S/C9H8F3NO/c10-9(11,12)6-2-1-3-7-8(6)14-5-4-13-7/h1-3,13H,4-5H2
InChIKey
GFPMHIXFAJFZCJ-UHFFFAOYSA-N
Compound name
8-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.0558 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.06308 138.7
[M+Na]+ 226.04502 146.8
[M-H]- 202.04852 136.9
[M+NH4]+ 221.08962 155.5
[M+K]+ 242.01896 144.0
[M+H-H2O]+ 186.05306 130.0
[M+HCOO]- 248.05400 152.0
[M+CH3COO]- 262.06965 180.5
[M+Na-2H]- 224.03047 146.6
[M]+ 203.05525 131.5
[M]- 203.05635 131.5
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

patents stripe