CID 89089150

Methyl[(2,3,5-trifluorophenyl)methyl]amine hydrochloride

Structural Information

Molecular Formula
C8H8F3N
SMILES
CNCC1=C(C(=CC(=C1)F)F)F
InChI
InChI=1S/C8H8F3N/c1-12-4-5-2-6(9)3-7(10)8(5)11/h2-3,12H,4H2,1H3
InChIKey
UFPLYFAJLZOKEO-UHFFFAOYSA-N
Compound name
N-methyl-1-(2,3,5-trifluorophenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

175.06088 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.068156 130.1
[M+Na]+ 198.050098 140.1
[M-H]- 174.053604 130.7
[M+NH4]+ 193.094703 150.8
[M+K]+ 214.024038 137.1
[M+H-H2O]+ 158.058140 122.2
[M+HCOO]- 220.059081 152.8
[M+CH3COO]- 234.074731 184.8
[M+Na-2H]- 196.035546 135.3
[M]+ 175.06033142 126.6
[M]- 175.06142858 126.6
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