CID 11062466

N-ethyl-3-fluoroaniline hydrochloride

Structural Information

Molecular Formula
C8H10FN
SMILES
CCNC1=CC(=CC=C1)F
InChI
InChI=1S/C8H10FN/c1-2-10-8-5-3-4-7(9)6-8/h3-6,10H,2H2,1H3
InChIKey
SBNPVCZGSKLRSJ-UHFFFAOYSA-N
Compound name
N-ethyl-3-fluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

343
Patents

139.07973 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.087006 125.3
[M+Na]+ 162.068948 133.3
[M-H]- 138.072454 128.0
[M+NH4]+ 157.113553 147.0
[M+K]+ 178.042888 131.2
[M+H-H2O]+ 122.076990 119.0
[M+HCOO]- 184.077931 150.2
[M+CH3COO]- 198.093581 177.0
[M+Na-2H]- 160.054396 133.2
[M]+ 139.07918142 123.4
[M]- 139.08027858 123.4
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