CID 67469396

(4-amino-2,5-difluorophenyl)methanol

Structural Information

Molecular Formula
C7H7F2NO
SMILES
C1=C(C(=CC(=C1F)N)F)CO
InChI
InChI=1S/C7H7F2NO/c8-5-2-7(10)6(9)1-4(5)3-11/h1-2,11H,3,10H2
InChIKey
QYXDRSQNTRCBOT-UHFFFAOYSA-N
Compound name
(4-amino-2,5-difluorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

159.04958 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.056856 127.2
[M+Na]+ 182.038798 137.1
[M-H]- 158.042304 127.4
[M+NH4]+ 177.083403 147.6
[M+K]+ 198.012738 134.0
[M+H-H2O]+ 142.046840 120.5
[M+HCOO]- 204.047781 149.4
[M+CH3COO]- 218.063431 177.8
[M+Na-2H]- 180.024246 131.9
[M]+ 159.04903142 123.0
[M]- 159.05012858 123.0
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