CID 2773616

5-chloro-2-fluorobenzylamine

Structural Information

Molecular Formula
C7H7ClFN
SMILES
C1=CC(=C(C=C1Cl)CN)F
InChI
InChI=1S/C7H7ClFN/c8-6-1-2-7(9)5(3-6)4-10/h1-3H,4,10H2
InChIKey
BFLBLJKULFDOTN-UHFFFAOYSA-N
Compound name
(5-chloro-2-fluorophenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
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

No literature data available for this compound.

Patent stripe

patents stripe