CID 130562785

2-fluoro-5-methyl-4-(propan-2-yl)aniline

Structural Information

Molecular Formula
C10H14FN
SMILES
CC1=CC(=C(C=C1C(C)C)F)N
InChI
InChI=1S/C10H14FN/c1-6(2)8-5-9(11)10(12)4-7(8)3/h4-6H,12H2,1-3H3
InChIKey
RMONBSUGHIPYRA-UHFFFAOYSA-N
Compound name
2-fluoro-5-methyl-4-propan-2-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.11102 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.11830 134.9
[M+Na]+ 190.10024 143.7
[M-H]- 166.10374 137.5
[M+NH4]+ 185.14484 155.8
[M+K]+ 206.07418 141.3
[M+H-H2O]+ 150.10828 128.8
[M+HCOO]- 212.10922 157.5
[M+CH3COO]- 226.12487 185.5
[M+Na-2H]- 188.08569 137.9
[M]+ 167.11047 132.8
[M]- 167.11157 132.8
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.