CID 165890050

2-fluoro-4-(oxolan-3-yl)aniline

Structural Information

Molecular Formula
C10H12FNO
SMILES
C1COCC1C2=CC(=C(C=C2)N)F
InChI
InChI=1S/C10H12FNO/c11-9-5-7(1-2-10(9)12)8-3-4-13-6-8/h1-2,5,8H,3-4,6,12H2
InChIKey
RFCIAYVQSWFVNF-UHFFFAOYSA-N
Compound name
2-fluoro-4-(oxolan-3-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.09029 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.09757 136.5
[M+Na]+ 204.07951 143.9
[M-H]- 180.08301 142.2
[M+NH4]+ 199.12411 156.5
[M+K]+ 220.05345 142.1
[M+H-H2O]+ 164.08755 129.6
[M+HCOO]- 226.08849 158.8
[M+CH3COO]- 240.10414 181.6
[M+Na-2H]- 202.06496 140.5
[M]+ 181.08974 132.1
[M]- 181.09084 132.1
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.