CID 68453663

[4-(aminomethyl)-3-fluorophenyl]methanol hydrochloride

Structural Information

Molecular Formula
C8H10FNO
SMILES
C1=CC(=C(C=C1CO)F)CN
InChI
InChI=1S/C8H10FNO/c9-8-3-6(5-11)1-2-7(8)4-10/h1-3,11H,4-5,10H2
InChIKey
AVJXXLFGADEXEJ-UHFFFAOYSA-N
Compound name
[4-(aminomethyl)-3-fluorophenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

155.07465 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.08193 129.5
[M+Na]+ 178.06387 138.0
[M-H]- 154.06737 130.6
[M+NH4]+ 173.10847 149.8
[M+K]+ 194.03781 135.1
[M+H-H2O]+ 138.07191 123.4
[M+HCOO]- 200.07285 152.5
[M+CH3COO]- 214.08850 176.8
[M+Na-2H]- 176.04932 135.0
[M]+ 155.07410 126.5
[M]- 155.07520 126.5
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