CID 17953814

4-(2-fluorophenyl)butan-2-amine

Structural Information

Molecular Formula
C10H14FN
SMILES
CC(CCC1=CC=CC=C1F)N
InChI
InChI=1S/C10H14FN/c1-8(12)6-7-9-4-2-3-5-10(9)11/h2-5,8H,6-7,12H2,1H3
InChIKey
PCVGTQIIFTVRGT-UHFFFAOYSA-N
Compound name
4-(2-fluorophenyl)butan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

167.11102 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.11830 135.9
[M+Na]+ 190.10024 142.8
[M-H]- 166.10374 137.7
[M+NH4]+ 185.14484 156.1
[M+K]+ 206.07418 140.3
[M+H-H2O]+ 150.10828 129.2
[M+HCOO]- 212.10922 158.5
[M+CH3COO]- 226.12487 183.2
[M+Na-2H]- 188.08569 140.3
[M]+ 167.11047 133.0
[M]- 167.11157 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