CID 5126073

4-(2-fluorophenoxy)aniline

Structural Information

Molecular Formula
C12H10FNO
SMILES
C1=CC=C(C(=C1)OC2=CC=C(C=C2)N)F
InChI
InChI=1S/C12H10FNO/c13-11-3-1-2-4-12(11)15-10-7-5-9(14)6-8-10/h1-8H,14H2
InChIKey
XOTBQGILYQQOKD-UHFFFAOYSA-N
Compound name
4-(2-fluorophenoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

203.07465 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.08193 140.9
[M+Na]+ 226.06387 149.5
[M-H]- 202.06737 146.3
[M+NH4]+ 221.10847 159.5
[M+K]+ 242.03781 145.7
[M+H-H2O]+ 186.07191 133.0
[M+HCOO]- 248.07285 165.6
[M+CH3COO]- 262.08850 187.2
[M+Na-2H]- 224.04932 147.4
[M]+ 203.07410 138.7
[M]- 203.07520 138.7
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

patents stripe