CID 10104109

1187928-35-3

Structural Information

Molecular Formula
C5H7F6N
SMILES
C(CN)C(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C5H7F6N/c6-4(7,8)3(1-2-12)5(9,10)11/h3H,1-2,12H2
InChIKey
JLTQPWIPCCFXIX-UHFFFAOYSA-N
Compound name
4,4,4-trifluoro-3-(trifluoromethyl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

195.04826 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.05554 133.8
[M+Na]+ 218.03748 141.6
[M-H]- 194.04098 126.1
[M+NH4]+ 213.08208 152.5
[M+K]+ 234.01142 139.9
[M+H-H2O]+ 178.04552 124.7
[M+HCOO]- 240.04646 147.7
[M+CH3COO]- 254.06211 185.7
[M+Na-2H]- 216.02293 137.0
[M]+ 195.04771 123.1
[M]- 195.04881 123.1
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