CID 132327127

2126159-54-2

Structural Information

Molecular Formula
C7H10F5N
SMILES
C1CC(CCC1(C(F)(F)F)N)(F)F
InChI
InChI=1S/C7H10F5N/c8-6(9)3-1-5(13,2-4-6)7(10,11)12/h1-4,13H2
InChIKey
BJHLDDYWXDBBGV-UHFFFAOYSA-N
Compound name
4,4-difluoro-1-(trifluoromethyl)cyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.07333 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.08061 137.1
[M+Na]+ 226.06255 145.0
[M-H]- 202.06605 133.8
[M+NH4]+ 221.10715 159.4
[M+K]+ 242.03649 142.7
[M+H-H2O]+ 186.07059 129.5
[M+HCOO]- 248.07153 151.4
[M+CH3COO]- 262.08718 184.8
[M+Na-2H]- 224.04800 141.9
[M]+ 203.07278 124.5
[M]- 203.07388 124.5
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.