CID 16780805

1203685-18-0

Structural Information

Molecular Formula
C11H12F3N
SMILES
C1C(CN1)CC2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C11H12F3N/c12-11(13,14)10-3-1-8(2-4-10)5-9-6-15-7-9/h1-4,9,15H,5-7H2
InChIKey
LKQSQGRQJBWRGK-UHFFFAOYSA-N
Compound name
3-[[4-(trifluoromethyl)phenyl]methyl]azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

215.09218 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.099456 144.3
[M+Na]+ 238.081398 150.7
[M-H]- 214.084904 144.1
[M+NH4]+ 233.126003 154.6
[M+K]+ 254.055338 149.4
[M+H-H2O]+ 198.089440 130.2
[M+HCOO]- 260.090381 159.0
[M+CH3COO]- 274.106031 187.9
[M+Na-2H]- 236.066846 148.7
[M]+ 215.09163142 145.8
[M]- 215.09272858 145.8
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