CID 19896037

3-amino-2-fluorophenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

186
Patents

127.04334 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.050616 120.2
[M+Na]+ 150.032558 129.5
[M-H]- 126.036064 121.6
[M+NH4]+ 145.077163 141.6
[M+K]+ 166.006498 127.1
[M+H-H2O]+ 110.040600 114.5
[M+HCOO]- 172.041541 143.8
[M+CH3COO]- 186.057191 170.7
[M+Na-2H]- 148.018006 126.8
[M]+ 127.04279142 116.4
[M]- 127.04388858 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

literature stripe

Patent stripe

patents stripe