CID 25115440

Ttyygtjtlxklqq-uhfffaoysa-n

Structural Information

Molecular Formula
C7H8F3NO
SMILES
C1CC(=C(C(=O)C1)C(F)(F)F)N
InChI
InChI=1S/C7H8F3NO/c8-7(9,10)6-4(11)2-1-3-5(6)12/h1-3,11H2
InChIKey
TTYYGTJTLXKLQQ-UHFFFAOYSA-N
Compound name
3-amino-2-(trifluoromethyl)cyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

179.0558 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.06308 132.4
[M+Na]+ 202.04502 140.5
[M-H]- 178.04852 131.8
[M+NH4]+ 197.08962 152.1
[M+K]+ 218.01896 138.2
[M+H-H2O]+ 162.05306 125.0
[M+HCOO]- 224.05400 150.7
[M+CH3COO]- 238.06965 181.5
[M+Na-2H]- 200.03047 136.4
[M]+ 179.05525 124.2
[M]- 179.05635 124.2
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