CID 147633

4-(4-fluorophenoxy)aniline

Structural Information

Molecular Formula
C12H10FNO
SMILES
C1=CC(=CC=C1N)OC2=CC=C(C=C2)F
InChI
InChI=1S/C12H10FNO/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,14H2
InChIKey
SMWBBLSINLFYAB-UHFFFAOYSA-N
Compound name
4-(4-fluorophenoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

292
Patents

203.07465 Da
Monoisotopic Mass

2.1
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

literature stripe

Patent stripe

patents stripe