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]+ 312.04292 158.4
[M+Na]+ 334.02486 168.1
[M-H]- 310.02836 150.9
[M+NH4]+ 329.06946 172.5
[M+K]+ 349.99880 163.6
[M+H-H2O]+ 294.03290 146.0
[M+HCOO]- 356.03384 167.4
[M+CH3COO]- 370.04949 206.8
[M+Na-2H]- 332.01031 159.4
[M]+ 311.03509 143.4
[M]- 311.03619 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