CID 75360965

1-[3,5-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroethan-1-amine

Structural Information

Molecular Formula
C10H6F9N
SMILES
C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(C(F)(F)F)N
InChI
InChI=1S/C10H6F9N/c11-8(12,13)5-1-4(7(20)10(17,18)19)2-6(3-5)9(14,15)16/h1-3,7H,20H2
InChIKey
GURRKOBWILKVPZ-UHFFFAOYSA-N
Compound name
1-[3,5-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

311.03564 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.042916 158.4
[M+Na]+ 334.024858 168.1
[M-H]- 310.028364 150.9
[M+NH4]+ 329.069463 172.5
[M+K]+ 349.998798 163.6
[M+H-H2O]+ 294.032900 146.0
[M+HCOO]- 356.033841 167.4
[M+CH3COO]- 370.049491 206.8
[M+Na-2H]- 332.010306 159.4
[M]+ 311.03509142 143.4
[M]- 311.03618858 143.4
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