CID 20093531

145943-01-7

Structural Information

Molecular Formula
C9H9F4N
SMILES
CNCC1=C(C=C(C=C1)C(F)(F)F)F
InChI
InChI=1S/C9H9F4N/c1-14-5-6-2-3-7(4-8(6)10)9(11,12)13/h2-4,14H,5H2,1H3
InChIKey
IHUVWXLABNVSQN-UHFFFAOYSA-N
Compound name
1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

207.06711 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.07439 138.6
[M+Na]+ 230.05633 147.7
[M-H]- 206.05983 137.5
[M+NH4]+ 225.10093 157.7
[M+K]+ 246.03027 144.4
[M+H-H2O]+ 190.06437 129.8
[M+HCOO]- 252.06531 158.2
[M+CH3COO]- 266.08096 189.3
[M+Na-2H]- 228.04178 143.8
[M]+ 207.06656 133.0
[M]- 207.06766 133.0
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