CID 2778761

4-amino-3,5-difluorophenol

Structural Information

Molecular Formula
C6H5F2NO
SMILES
C1=C(C=C(C(=C1F)N)F)O
InChI
InChI=1S/C6H5F2NO/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H,9H2
InChIKey
YHQVBHFKCBFNEG-UHFFFAOYSA-N
Compound name
4-amino-3,5-difluorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

145.03392 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.04120 122.5
[M+Na]+ 168.02314 132.8
[M-H]- 144.02664 122.9
[M+NH4]+ 163.06774 143.4
[M+K]+ 183.99708 130.0
[M+H-H2O]+ 128.03118 116.1
[M+HCOO]- 190.03212 145.1
[M+CH3COO]- 204.04777 174.7
[M+Na-2H]- 166.00859 127.8
[M]+ 145.03337 118.0
[M]- 145.03447 118.0
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