CID 2774790

[2-fluoro-6-(trifluoromethyl)phenyl]methanamine

Structural Information

Molecular Formula
C8H7F4N
SMILES
C1=CC(=C(C(=C1)F)CN)C(F)(F)F
InChI
InChI=1S/C8H7F4N/c9-7-3-1-2-6(5(7)4-13)8(10,11)12/h1-3H,4,13H2
InChIKey
FCYVKQRWNQRCFE-UHFFFAOYSA-N
Compound name
[2-fluoro-6-(trifluoromethyl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

127
Patents

193.05147 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.05875 134.4
[M+Na]+ 216.04069 144.0
[M-H]- 192.04419 133.0
[M+NH4]+ 211.08529 153.8
[M+K]+ 232.01463 140.5
[M+H-H2O]+ 176.04873 125.8
[M+HCOO]- 238.04967 153.7
[M+CH3COO]- 252.06532 185.6
[M+Na-2H]- 214.02614 139.1
[M]+ 193.05092 127.5
[M]- 193.05202 127.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe