CID 84833

2-chloro-6-fluorobenzylamine

Structural Information

Molecular Formula
C7H7ClFN
SMILES
C1=CC(=C(C(=C1)Cl)CN)F
InChI
InChI=1S/C7H7ClFN/c8-6-2-1-3-7(9)5(6)4-10/h1-3H,4,10H2
InChIKey
GVULSXIBCHPJEH-UHFFFAOYSA-N
Compound name
(2-chloro-6-fluorophenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

371
Patents

159.0251 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.03238 126.2
[M+Na]+ 182.01432 139.5
[M+NH4]+ 177.05892 135.5
[M+K]+ 197.98826 132.3
[M-H]- 158.01782 128.3
[M+Na-2H]- 179.99977 133.7
[M]+ 159.02455 128.9
[M]- 159.02565 128.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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