CID 53770805

4-(fluoromethoxy)aniline hydrochloride

Structural Information

Molecular Formula
C7H8FNO
SMILES
C1=CC(=CC=C1N)OCF
InChI
InChI=1S/C7H8FNO/c8-5-10-7-3-1-6(9)2-4-7/h1-4H,5,9H2
InChIKey
DOMGWJZIKVFCTE-UHFFFAOYSA-N
Compound name
4-(fluoromethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

141.05899 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.066266 124.5
[M+Na]+ 164.048208 132.9
[M-H]- 140.051714 126.7
[M+NH4]+ 159.092813 145.7
[M+K]+ 180.022148 131.1
[M+H-H2O]+ 124.056250 118.1
[M+HCOO]- 186.057191 149.3
[M+CH3COO]- 200.072841 175.2
[M+Na-2H]- 162.033656 131.8
[M]+ 141.05844142 122.6
[M]- 141.05953858 122.6
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