CID 18457315

3-amino-5-fluorophenol

Structural Information

Molecular Formula
C6H6FNO
SMILES
C1=C(C=C(C=C1O)F)N
InChI
InChI=1S/C6H6FNO/c7-4-1-5(8)3-6(9)2-4/h1-3,9H,8H2
InChIKey
NMAMRLDELSMXON-UHFFFAOYSA-N
Compound name
3-amino-5-fluorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

127.04334 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.05062 120.2
[M+Na]+ 150.03256 129.5
[M-H]- 126.03606 121.6
[M+NH4]+ 145.07716 141.6
[M+K]+ 166.00650 127.1
[M+H-H2O]+ 110.04060 114.5
[M+HCOO]- 172.04154 143.8
[M+CH3COO]- 186.05719 170.7
[M+Na-2H]- 148.01801 126.8
[M]+ 127.04279 116.4
[M]- 127.04389 116.4
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