CID 14545

N,n-bis(2-fluoroethyl)aniline hydrochloride

Structural Information

Molecular Formula
C10H13F2N
SMILES
C1=CC=C(C=C1)N(CCF)CCF
InChI
InChI=1S/C10H13F2N/c11-6-8-13(9-7-12)10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKey
VTVNWWIMWDBJTE-UHFFFAOYSA-N
Compound name
N,N-bis(2-fluoroethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

185.10161 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.10889 138.1
[M+Na]+ 208.09083 144.4
[M-H]- 184.09433 139.9
[M+NH4]+ 203.13543 158.0
[M+K]+ 224.06477 142.7
[M+H-H2O]+ 168.09887 129.7
[M+HCOO]- 230.09981 161.7
[M+CH3COO]- 244.11546 188.3
[M+Na-2H]- 206.07628 144.1
[M]+ 185.10106 136.5
[M]- 185.10216 136.5
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