CID 72214383

(2-chloro-3-fluoropyridin-4-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C6H6ClFN2
SMILES
C1=CN=C(C(=C1CN)F)Cl
InChI
InChI=1S/C6H6ClFN2/c7-6-5(8)4(3-9)1-2-10-6/h1-2H,3,9H2
InChIKey
YOIOTDMJOCUDBE-UHFFFAOYSA-N
Compound name
(2-chloro-3-fluoropyridin-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

160.02036 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.02764 127.0
[M+Na]+ 183.00958 137.5
[M-H]- 159.01308 128.0
[M+NH4]+ 178.05418 147.3
[M+K]+ 198.98352 133.4
[M+H-H2O]+ 143.01762 120.9
[M+HCOO]- 205.01856 146.0
[M+CH3COO]- 219.03421 177.8
[M+Na-2H]- 180.99503 133.7
[M]+ 160.01981 126.1
[M]- 160.02091 126.1
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