CID 82669961

1-(3,5-dichloro-4-fluorophenyl)methanamine hydrochloride

Structural Information

Molecular Formula
C7H6Cl2FN
SMILES
C1=C(C=C(C(=C1Cl)F)Cl)CN
InChI
InChI=1S/C7H6Cl2FN/c8-5-1-4(3-11)2-6(9)7(5)10/h1-2H,3,11H2
InChIKey
VISNNKXGFKTWEY-UHFFFAOYSA-N
Compound name
(3,5-dichloro-4-fluorophenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.98613 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.99341 133.2
[M+Na]+ 215.97535 144.6
[M-H]- 191.97885 135.1
[M+NH4]+ 211.01995 154.2
[M+K]+ 231.94929 138.8
[M+H-H2O]+ 175.98339 129.1
[M+HCOO]- 237.98433 148.1
[M+CH3COO]- 251.99998 184.1
[M+Na-2H]- 213.96080 137.8
[M]+ 192.98558 133.7
[M]- 192.98668 133.7
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

No patent data available for this compound.