CID 17954402

181772-12-3

Structural Information

Molecular Formula
C11H11F6N
SMILES
C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CCCN
InChI
InChI=1S/C11H11F6N/c12-10(13,14)8-4-7(2-1-3-18)5-9(6-8)11(15,16)17/h4-6H,1-3,18H2
InChIKey
KGXOHTRDLONUQE-UHFFFAOYSA-N
Compound name
3-[3,5-bis(trifluoromethyl)phenyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

271.07956 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.086836 154.6
[M+Na]+ 294.068778 163.5
[M-H]- 270.072284 150.3
[M+NH4]+ 289.113383 170.7
[M+K]+ 310.042718 159.0
[M+H-H2O]+ 254.076820 144.1
[M+HCOO]- 316.077761 169.2
[M+CH3COO]- 330.093411 200.3
[M+Na-2H]- 292.054226 157.2
[M]+ 271.07901142 145.5
[M]- 271.08010858 145.5
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