CID 22017356

3,5-bis(trifluoromethyl)-alpha,n-dimethylbenzylamine

Structural Information

Molecular Formula
C11H11F6N
SMILES
CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)NC
InChI
InChI=1S/C11H11F6N/c1-6(18-2)7-3-8(10(12,13)14)5-9(4-7)11(15,16)17/h3-6,18H,1-2H3
InChIKey
ZHIAARPZLAPMHX-UHFFFAOYSA-N
Compound name
1-[3,5-bis(trifluoromethyl)phenyl]-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

167
Patents

271.07956 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.08684 153.7
[M+Na]+ 294.06878 162.3
[M-H]- 270.07228 150.0
[M+NH4]+ 289.11338 170.0
[M+K]+ 310.04272 158.7
[M+H-H2O]+ 254.07682 143.3
[M+HCOO]- 316.07776 167.9
[M+CH3COO]- 330.09341 201.8
[M+Na-2H]- 292.05423 156.2
[M]+ 271.07901 144.9
[M]- 271.08011 144.9
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