CID 18525918

2-(aminomethyl)-5-(trifluoromethyl)furan

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

30
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 127.1
[M+Na]+ 188.02937 136.3
[M-H]- 164.03287 127.5
[M+NH4]+ 183.07397 147.8
[M+K]+ 204.00331 135.5
[M+H-H2O]+ 148.03741 119.9
[M+HCOO]- 210.03835 148.2
[M+CH3COO]- 224.05400 177.5
[M+Na-2H]- 186.01482 133.2
[M]+ 165.03960 123.0
[M]- 165.04070 123.0
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