CID 17750818

2-chloro-6-fluoro-3-methoxybenzylamine

Structural Information

Molecular Formula
C8H9ClFNO
SMILES
COC1=C(C(=C(C=C1)F)CN)Cl
InChI
InChI=1S/C8H9ClFNO/c1-12-7-3-2-6(10)5(4-11)8(7)9/h2-3H,4,11H2,1H3
InChIKey
AVAJULXALLCUQO-UHFFFAOYSA-N
Compound name
(2-chloro-6-fluoro-3-methoxyphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

189.03568 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.04296 134.7
[M+Na]+ 212.02490 145.4
[M-H]- 188.02840 137.3
[M+NH4]+ 207.06950 155.6
[M+K]+ 227.99884 141.4
[M+H-H2O]+ 172.03294 129.5
[M+HCOO]- 234.03388 154.7
[M+CH3COO]- 248.04953 184.4
[M+Na-2H]- 210.01035 139.6
[M]+ 189.03513 136.0
[M]- 189.03623 136.0
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