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

18
Patents

167.11102 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.118296 135.5
[M+Na]+ 190.100238 143.3
[M-H]- 166.103744 137.7
[M+NH4]+ 185.144843 156.0
[M+K]+ 206.074178 140.8
[M+H-H2O]+ 150.108280 129.1
[M+HCOO]- 212.109221 158.1
[M+CH3COO]- 226.124871 184.3
[M+Na-2H]- 188.085686 139.1
[M]+ 167.11047142 133.0
[M]- 167.11156858 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