CID 43752653

1803588-40-0

Structural Information

Molecular Formula
C5H11F3N2
SMILES
CN(C)C(CN)C(F)(F)F
InChI
InChI=1S/C5H11F3N2/c1-10(2)4(3-9)5(6,7)8/h4H,3,9H2,1-2H3
InChIKey
AQLFWQJJGJBBIY-UHFFFAOYSA-N
Compound name
3,3,3-trifluoro-2-N,2-N-dimethylpropane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

156.08743 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.09471 130.2
[M+Na]+ 179.07665 136.6
[M-H]- 155.08015 127.6
[M+NH4]+ 174.12125 150.9
[M+K]+ 195.05059 137.2
[M+H-H2O]+ 139.08469 122.7
[M+HCOO]- 201.08563 150.4
[M+CH3COO]- 215.10128 185.5
[M+Na-2H]- 177.06210 133.8
[M]+ 156.08688 124.6
[M]- 156.08798 124.6
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

No patent data available for this compound.