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
2
Annotation Hits

0
References

396
Patents

159.0251 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.032376 127.3
[M+Na]+ 182.014318 137.4
[M-H]- 158.017824 129.6
[M+NH4]+ 177.058923 149.0
[M+K]+ 197.988258 133.1
[M+H-H2O]+ 142.022360 122.2
[M+HCOO]- 204.023301 147.3
[M+CH3COO]- 218.038951 178.2
[M+Na-2H]- 179.999766 133.4
[M]+ 159.02455142 126.3
[M]- 159.02564858 126.3
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