CID 125450509

2375272-87-8

Structural Information

Molecular Formula
C8H10F2N2O
SMILES
C1CC(CC2=C1ON=C2CN)(F)F
InChI
InChI=1S/C8H10F2N2O/c9-8(10)2-1-7-5(3-8)6(4-11)12-13-7/h1-4,11H2
InChIKey
ZAEGIXPCGFXQIO-UHFFFAOYSA-N
Compound name
(5,5-difluoro-6,7-dihydro-4H-1,2-benzoxazol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.07613 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.08341 134.8
[M+Na]+ 211.06535 144.1
[M-H]- 187.06885 135.8
[M+NH4]+ 206.10995 156.4
[M+K]+ 227.03929 142.3
[M+H-H2O]+ 171.07339 127.5
[M+HCOO]- 233.07433 153.7
[M+CH3COO]- 247.08998 182.4
[M+Na-2H]- 209.05080 140.9
[M]+ 188.07558 130.7
[M]- 188.07668 130.7
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

No patent data available for this compound.