CID 10419448

4-(aminomethyl)-2,6-difluorophenol hydrobromide

Structural Information

Molecular Formula
C7H7F2NO
SMILES
C1=C(C=C(C(=C1F)O)F)CN
InChI
InChI=1S/C7H7F2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H,3,10H2
InChIKey
XIGBWMMDVPCKSD-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-2,6-difluorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

86
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

literature stripe

Patent stripe

patents stripe