CID 118989723

(2-amino-3,4-difluorophenyl)methanol

Structural Information

Molecular Formula
C7H7F2NO
SMILES
C1=CC(=C(C(=C1CO)N)F)F
InChI
InChI=1S/C7H7F2NO/c8-5-2-1-4(3-11)7(10)6(5)9/h1-2,11H,3,10H2
InChIKey
UNBPFJIUOUOZBR-UHFFFAOYSA-N
Compound name
(2-amino-3,4-difluorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.04958 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.05686 127.2
[M+Na]+ 182.03880 137.1
[M-H]- 158.04230 127.4
[M+NH4]+ 177.08340 147.6
[M+K]+ 198.01274 134.0
[M+H-H2O]+ 142.04684 120.5
[M+HCOO]- 204.04778 149.4
[M+CH3COO]- 218.06343 177.8
[M+Na-2H]- 180.02425 131.9
[M]+ 159.04903 123.0
[M]- 159.05013 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

No patent data available for this compound.