CID 2778762

4-amino-2,5-difluorophenol hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

197
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

No literature data available for this compound.

Patent stripe

patents stripe