CID 80463456

4-bromo-n,n-diethyl-3-fluoroaniline

Structural Information

Molecular Formula
C10H13BrFN
SMILES
CCN(CC)C1=CC(=C(C=C1)Br)F
InChI
InChI=1S/C10H13BrFN/c1-3-13(4-2)8-5-6-9(11)10(12)7-8/h5-7H,3-4H2,1-2H3
InChIKey
RKIYKABTXNDNOW-UHFFFAOYSA-N
Compound name
4-bromo-N,N-diethyl-3-fluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.02155 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.02883 146.7
[M+Na]+ 268.01077 157.9
[M-H]- 244.01427 153.1
[M+NH4]+ 263.05537 168.4
[M+K]+ 283.98471 147.2
[M+H-H2O]+ 228.01881 145.2
[M+HCOO]- 290.01975 168.6
[M+CH3COO]- 304.03540 197.2
[M+Na-2H]- 265.99622 152.6
[M]+ 245.02100 165.4
[M]- 245.02210 165.4
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

No patent data available for this compound.