CID 21072519

2309453-93-6

Structural Information

Molecular Formula
C4H7F4N
SMILES
C(CN)C(C(F)F)(F)F
InChI
InChI=1S/C4H7F4N/c5-3(6)4(7,8)1-2-9/h3H,1-2,9H2
InChIKey
ITMAWEQXKLVLOB-UHFFFAOYSA-N
Compound name
3,3,4,4-tetrafluorobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

145.05147 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.05875 124.0
[M+Na]+ 168.04069 131.4
[M-H]- 144.04419 118.8
[M+NH4]+ 163.08529 144.7
[M+K]+ 184.01463 130.5
[M+H-H2O]+ 128.04873 116.3
[M+HCOO]- 190.04967 141.9
[M+CH3COO]- 204.06532 177.6
[M+Na-2H]- 166.02614 128.2
[M]+ 145.05092 116.4
[M]- 145.05202 116.4
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