CID 3325139

(2,3,5-trifluorophenyl)methanamine

Structural Information

Molecular Formula
C7H6F3N
SMILES
C1=C(C=C(C(=C1CN)F)F)F
InChI
InChI=1S/C7H6F3N/c8-5-1-4(3-11)7(10)6(9)2-5/h1-2H,3,11H2
InChIKey
VBSZVHOYRNCVSA-UHFFFAOYSA-N
Compound name
(2,3,5-trifluorophenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

137
Patents

161.04523 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.05251 126.0
[M+Na]+ 184.03445 136.4
[M-H]- 160.03795 126.3
[M+NH4]+ 179.07905 147.0
[M+K]+ 200.00839 133.3
[M+H-H2O]+ 144.04249 118.4
[M+HCOO]- 206.04343 148.4
[M+CH3COO]- 220.05908 181.1
[M+Na-2H]- 182.01990 130.7
[M]+ 161.04468 121.1
[M]- 161.04578 121.1
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