CID 63734823

4-amino-2-(difluoromethyl)phenol

Structural Information

Molecular Formula
C7H7F2NO
SMILES
C1=CC(=C(C=C1N)C(F)F)O
InChI
InChI=1S/C7H7F2NO/c8-7(9)5-3-4(10)1-2-6(5)11/h1-3,7,11H,10H2
InChIKey
QQSWEICOYTUFAQ-UHFFFAOYSA-N
Compound name
4-amino-2-(difluoromethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

159.04958 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.056856 127.9
[M+Na]+ 182.038798 136.6
[M-H]- 158.042304 127.8
[M+NH4]+ 177.083403 147.9
[M+K]+ 198.012738 134.0
[M+H-H2O]+ 142.046840 121.1
[M+HCOO]- 204.047781 149.1
[M+CH3COO]- 218.063431 177.4
[M+Na-2H]- 180.024246 132.0
[M]+ 159.04903142 122.7
[M]- 159.05012858 122.7
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