CID 83397616

[6-(trifluoromethyl)-3,4-dihydro-2h-1,4-benzoxazin-2-yl]methanol

Structural Information

Molecular Formula
C10H10F3NO2
SMILES
C1C(OC2=C(N1)C=C(C=C2)C(F)(F)F)CO
InChI
InChI=1S/C10H10F3NO2/c11-10(12,13)6-1-2-9-8(3-6)14-4-7(5-15)16-9/h1-3,7,14-15H,4-5H2
InChIKey
AJVKFMRBXWPQPV-UHFFFAOYSA-N
Compound name
[6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.06636 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.073636 147.2
[M+Na]+ 256.055578 155.3
[M-H]- 232.059084 144.2
[M+NH4]+ 251.100183 162.3
[M+K]+ 272.029518 151.9
[M+H-H2O]+ 216.063620 138.6
[M+HCOO]- 278.064561 158.8
[M+CH3COO]- 292.080211 184.3
[M+Na-2H]- 254.041026 153.4
[M]+ 233.06581142 140.4
[M]- 233.06690858 140.4
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

No patent data available for this compound.