CID 28413948

2-{[4-(aminomethyl)-2-fluorophenyl]methoxy}ethan-1-ol hydrochloride

Structural Information

Molecular Formula
C10H14FNO2
SMILES
C1=CC(=C(C=C1CN)F)COCCO
InChI
InChI=1S/C10H14FNO2/c11-10-5-8(6-12)1-2-9(10)7-14-4-3-13/h1-2,5,13H,3-4,6-7,12H2
InChIKey
RFRGMFXWJDEXLK-UHFFFAOYSA-N
Compound name
2-[[4-(aminomethyl)-2-fluorophenyl]methoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

199.10086 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.10814 141.8
[M+Na]+ 222.09008 149.3
[M-H]- 198.09358 142.4
[M+NH4]+ 217.13468 160.2
[M+K]+ 238.06402 146.4
[M+H-H2O]+ 182.09812 134.9
[M+HCOO]- 244.09906 164.3
[M+CH3COO]- 258.11471 185.0
[M+Na-2H]- 220.07553 146.2
[M]+ 199.10031 140.9
[M]- 199.10141 140.9
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