CID 18525918

868755-68-4

Structural Information

Molecular Formula
C6H6F3NO
SMILES
C1=C(OC(=C1)C(F)(F)F)CN
InChI
InChI=1S/C6H6F3NO/c7-6(8,9)5-2-1-4(3-10)11-5/h1-2H,3,10H2
InChIKey
MMOMFJIMQXUJMQ-UHFFFAOYSA-N
Compound name
[5-(trifluoromethyl)furan-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

165.04015 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.04743 136.3
[M+Na]+ 188.02937 143.9
[M+NH4]+ 183.07397 142.0
[M+K]+ 204.00331 141.5
[M-H]- 164.03287 134.2
[M+Na-2H]- 186.01482 139.0
[M]+ 165.03960 136.4
[M]- 165.04070 136.4
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