CID 144066485

[2,6-difluoro-4-(trifluoromethyl)phenyl]methanamine

Structural Information

Molecular Formula
C8H6F5N
SMILES
C1=C(C=C(C(=C1F)CN)F)C(F)(F)F
InChI
InChI=1S/C8H6F5N/c9-6-1-4(8(11,12)13)2-7(10)5(6)3-14/h1-2H,3,14H2
InChIKey
QLPVAFRCTYKPNJ-UHFFFAOYSA-N
Compound name
[2,6-difluoro-4-(trifluoromethyl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

211.04204 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.04932 137.1
[M+Na]+ 234.03126 147.6
[M-H]- 210.03476 134.6
[M+NH4]+ 229.07586 155.9
[M+K]+ 250.00520 143.8
[M+H-H2O]+ 194.03930 127.7
[M+HCOO]- 256.04024 155.3
[M+CH3COO]- 270.05589 189.7
[M+Na-2H]- 232.01671 140.5
[M]+ 211.04149 129.2
[M]- 211.04259 129.2
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