CID 19908555

1-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine

Structural Information

Molecular Formula
C11H12F3N
SMILES
C1CC2=CC=CC=C2C(C1)(C(F)(F)F)N
InChI
InChI=1S/C11H12F3N/c12-11(13,14)10(15)7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6H,3,5,7,15H2
InChIKey
JMRLPVTXGZFDSA-UHFFFAOYSA-N
Compound name
1-(trifluoromethyl)-3,4-dihydro-2H-naphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

215.09218 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.09946 144.1
[M+Na]+ 238.08140 152.0
[M-H]- 214.08490 144.1
[M+NH4]+ 233.12600 165.3
[M+K]+ 254.05534 148.0
[M+H-H2O]+ 198.08944 136.3
[M+HCOO]- 260.09038 160.7
[M+CH3COO]- 274.10603 188.2
[M+Na-2H]- 236.06685 150.9
[M]+ 215.09163 135.6
[M]- 215.09273 135.6
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