CID 63888713

2-fluoro-4-(2-methylpropyl)aniline

Structural Information

Molecular Formula
C10H14FN
SMILES
CC(C)CC1=CC(=C(C=C1)N)F
InChI
InChI=1S/C10H14FN/c1-7(2)5-8-3-4-10(12)9(11)6-8/h3-4,6-7H,5,12H2,1-2H3
InChIKey
MGNVWBWUHFPWRL-UHFFFAOYSA-N
Compound name
2-fluoro-4-(2-methylpropyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

167.11102 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.11830 136.4
[M+Na]+ 190.10024 148.0
[M+NH4]+ 185.14484 144.8
[M+K]+ 206.07418 141.5
[M-H]- 166.10374 138.2
[M+Na-2H]- 188.08569 142.5
[M]+ 167.11047 138.4
[M]- 167.11157 138.4
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