CID 82814810

[(2,6-difluoro-3-methylphenyl)methyl](methyl)amine hydrochloride

Structural Information

Molecular Formula
C9H11F2N
SMILES
CC1=C(C(=C(C=C1)F)CNC)F
InChI
InChI=1S/C9H11F2N/c1-6-3-4-8(10)7(5-12-2)9(6)11/h3-4,12H,5H2,1-2H3
InChIKey
GPVRHCKFLJWOEY-UHFFFAOYSA-N
Compound name
1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

171.08595 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09323 132.1
[M+Na]+ 194.07517 141.6
[M-H]- 170.07867 133.9
[M+NH4]+ 189.11977 153.0
[M+K]+ 210.04911 138.8
[M+H-H2O]+ 154.08321 125.0
[M+HCOO]- 216.08415 155.5
[M+CH3COO]- 230.09980 185.1
[M+Na-2H]- 192.06062 137.3
[M]+ 171.08540 130.0
[M]- 171.08650 130.0
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