CID 62377669

2-(tert-butoxy)-4-fluoroaniline

Structural Information

Molecular Formula
C10H14FNO
SMILES
CC(C)(C)OC1=C(C=CC(=C1)F)N
InChI
InChI=1S/C10H14FNO/c1-10(2,3)13-9-6-7(11)4-5-8(9)12/h4-6H,12H2,1-3H3
InChIKey
CDPWSESMTRSJDD-UHFFFAOYSA-N
Compound name
4-fluoro-2-[(2-methylpropan-2-yl)oxy]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.10594 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.11322 138.6
[M+Na]+ 206.09516 147.2
[M-H]- 182.09866 141.2
[M+NH4]+ 201.13976 158.8
[M+K]+ 222.06910 145.2
[M+H-H2O]+ 166.10320 132.6
[M+HCOO]- 228.10414 160.9
[M+CH3COO]- 242.11979 185.2
[M+Na-2H]- 204.08061 144.2
[M]+ 183.10539 137.6
[M]- 183.10649 137.6
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

No patent data available for this compound.