CID 12737325

197783-88-3

Structural Information

Molecular Formula
C7H8FNO
SMILES
C1=CC(=C(C=C1F)N)CO
InChI
InChI=1S/C7H8FNO/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4,9H2
InChIKey
XZXFGEIRYBKMMR-UHFFFAOYSA-N
Compound name
(2-amino-4-fluorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

141.05899 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.06627 124.9
[M+Na]+ 164.04821 133.8
[M-H]- 140.05171 126.1
[M+NH4]+ 159.09281 145.7
[M+K]+ 180.02215 131.1
[M+H-H2O]+ 124.05625 119.0
[M+HCOO]- 186.05719 148.2
[M+CH3COO]- 200.07284 173.8
[M+Na-2H]- 162.03366 130.9
[M]+ 141.05844 121.5
[M]- 141.05954 121.5
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