CID 22031806

N-cyclopropyl-4-fluoroaniline

Structural Information

Molecular Formula
C9H10FN
SMILES
C1CC1NC2=CC=C(C=C2)F
InChI
InChI=1S/C9H10FN/c10-7-1-3-8(4-2-7)11-9-5-6-9/h1-4,9,11H,5-6H2
InChIKey
JFDXGFOMBAHKCU-UHFFFAOYSA-N
Compound name
N-cyclopropyl-4-fluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

151.07973 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.087006 124.4
[M+Na]+ 174.068948 133.9
[M-H]- 150.072454 131.1
[M+NH4]+ 169.113553 140.7
[M+K]+ 190.042888 130.8
[M+H-H2O]+ 134.076990 117.2
[M+HCOO]- 196.077931 149.7
[M+CH3COO]- 210.093581 181.9
[M+Na-2H]- 172.054396 132.6
[M]+ 151.07918142 124.1
[M]- 151.08027858 124.1
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